9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-

CAS 110-31-6  ·  C38H72N2O2  ·  MW 589.0 g/mol

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3D model 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-, CAS 110-31-6, molecular formula C38H72N2O2, molar mass 589.0 g/mol

Model views

  • 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6) – 2D structure, MolGod Viewer
    2D structure

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About 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-

9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- is a chemical compound registered under number CAS 110-31-6, with the molecular formula C38H72N2O2, and a molar mass of 589.0 g/mol.

The molecule contains 114 atoms connected by 113 chemical bonds. The full systematic IUPAC name of this compound is N-[2-(octadec-9-enoylamino)ethyl]octadec-9-enamide. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 13.8 (positive value, a lipophilic compound), polar surface area PSA = 58.2 Ų, 2 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC38H72N2O2
Molar mass589.0 g/mol
IUPACN-[2-(octadec-9-enoylamino)ethyl]octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCCCCCCCC
InChIKeyOXDXXMDEEFOVHR-UHFFFAOYSA-N
logP (XLogP3)13.8
PSA58.2 Ų
HBD / HBA2 / 2
PubChem CIDCID 66966 ↗
Scientific literature

Brak articles naukowych dla CAS 110-31-6 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
110-31-6 · 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- · RefChem:108073 · DTXCID2033158 · N,N'-Ethylenebisoleamide · N-[2-(octadec-9-enoylamino)ethyl]octadec-9-enamide · N,N'-1,2-Ethanediylbis-9-octadecenamide · C38H72N2O2 · SCHEMBL232436 · N,N\'-ETHYLENEBISOLEAMIDE · MFCD32205681 · N,N'-(Ethane-1,2-diyl)di(octadec-9-enamide) · F980389 · (Z)-N,N inverted exclamation mark -(Ethane-1,2-Diyl)Dioleamide
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

2 stereo element(s) undefined in the source record (0 stereocentre(s), 2 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/66966
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6), C38H72N2O2 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

MG-STL-110-31-6-ENGRAVED · 1,254,116 △ · 60 MB · SHA-256 a1a236dec51f694e

Download 3D model · ENGRAVED · C H N O

9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6), C38H72N2O2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-110-31-6-NORMAL · 47,712 △ · 2 MB · SHA-256 97f738d0f628fd49

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Model
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- · 110-31-6
InChIKey
OXDXXMDEEFOVHR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — 9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6)
License & provenance record
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- (CAS 110-31-6) →
MolGod molecule record
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)- →
Source data
PubChem CID 66966 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
97f738d0f628fd49c9013c4ce984d34d21b9903c3a93da287ca0f65fe4682daf
MD5 (STL)
e3634f89828a56277eb8b5051456ea1b
Model identifier
MG-STL-110-31-6
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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