Erucamide

CAS 112-84-5  ·  C22H43NO  ·  MW 337.6 g/mol

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3D model Erucamide, CAS 112-84-5, molecular formula C22H43NO, molar mass 337.6 g/mol

Model views

  • Erucamide (CAS 112-84-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Erucamide (CAS 112-84-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Erucamide (CAS 112-84-5) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Erucamide (CAS 112-84-5) – 2D structure, MolGod Viewer
    2D structure

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About Erucamide

Erucamide is a chemical compound registered under number CAS 112-84-5, with the molecular formula C22H43NO, and a molar mass of 337.6 g/mol.

The molecule contains 67 atoms connected by 66 chemical bonds. The full systematic IUPAC name of this compound is (Z)-docos-13-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 = 8.8 (positive value, a lipophilic compound), polar surface area PSA = 43.1 Ų, 1 donors and 1 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 formulaC22H43NO
Molar mass337.6 g/mol
IUPAC(Z)-docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)N
InChIKeyUAUDZVJPLUQNMU-KTKRTIGZSA-N
logP (XLogP3)8.8
PSA43.1 Ų
HBD / HBA1 / 1
PubChem CIDCID 5365371 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

8 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 8)

1996: number of articles 119962003: number of articles 22007: number of articles 12017: number of articles 120172018: number of articles 12021: number of articles 12023: number of articles 12023

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
ERUCAMIDE · (Z)-Docos-13-enamide · 112-84-5 · Erucylamide · Erucic acid amide · Erucyl amide · cis-13-Docosenamide · 13-Docosenamide, (13Z)- · 13-Docosenamide, (Z)- · (Z)-13-Docosenamide · plastic additive 13 · erucilamide · Adogen 58 · (13Z)-13-Docosenamide · 0V89VY25BN
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.

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/5365371
  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)
Erucamide (CAS 112-84-5), C22H43NO - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

MG-STL-112-84-5-ENGRAVED · 731,718 △ · 35 MB · SHA-256 d0eef76a4d2c3800

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Erucamide (CAS 112-84-5), C22H43NO - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-112-84-5-NORMAL · 27,968 △ · 1 MB · SHA-256 7c1bc7186a625cbf

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Model
Erucamide · 112-84-5
InChIKey
UAUDZVJPLUQNMU-KTKRTIGZSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Erucamide (CAS 112-84-5)
License & provenance record
Erucamide (CAS 112-84-5) →
MolGod molecule record
Erucamide →
Source data
PubChem CID 5365371 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
7c1bc7186a625cbfa4c772be3a9c30e9e128d5c8439d4887eba3b9fc17747e09
MD5 (STL)
d728d02bb51a1c3799f649c436033afd
Model identifier
MG-STL-112-84-5
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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