2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide

CAS 93951-12-3  ·  C28H39Cl2NO3  ·  MW 508.5 g/mol

Full record: 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide — Safety Data Sheet →

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3D model 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide, CAS 93951-12-3, molecular formula C28H39Cl2NO3, molar mass 508.5 g/mol

Model views

  • 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide (CAS 93951-12-3) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide (CAS 93951-12-3) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide (CAS 93951-12-3) – 2D structure, MolGod Viewer
    2D structure

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About 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide

2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide is a chemical compound registered under number CAS 93951-12-3, with the molecular formula C28H39Cl2NO3, and a molar mass of 508.5 g/mol.

The molecule contains 73 atoms connected by 74 chemical bonds. The full systematic IUPAC name of this compound is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide. 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 = 9.8 (positive value, a lipophilic compound), polar surface area PSA = 58.6 Ų, 2 donors and 3 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC28H39Cl2NO3
Molar mass508.5 g/mol
IUPAC2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
SMILESCCC1=C(C=C(C(=C1Cl)O)NC(=O)C(CC)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC)Cl
InChIKeyLFDFDMAPABBGSE-UHFFFAOYSA-N
logP (XLogP3)9.8
PSA58.6 Ų
HBD / HBA2 / 3
PubChem CIDCID 175569 ↗
GHS safety

H413 — May cause long lasting harmful effects to aquatic life

Scientific literature

Brak articles naukowych dla CAS 93951-12-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide · EINECS 300-634-0 · Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)- · 2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide · Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)- · RefChem:451884 · DTXCID30817183 · 300-634-0 · 93951-12-3 · 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide · SCHEMBL3429177 · AKOS015900493 · NS00064556 · 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(3,5-dichloro-4-ethyl-2-hydroxyphenyl)] Butanamide · 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(3,5-dichloro-4-ethyl-2-hydroxyphenyl)]Butanamide
Data sources
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide · 93951-12-3
InChIKey
LFDFDMAPABBGSE-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide (CAS 93951-12-3)
License & provenance record
2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide (CAS 93951-12-3) →
MolGod molecule record
2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide →
Source data
PubChem CID 175569 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
f39f0c4648a0346f36415ef9926fcddad6f6668b2a7177e94bd2b57d6d24f1a7
MD5 (STL)
4d33b88d630e5744a21667cb15f80c3f
MolGod Identification Number
MG_789-549-817-49
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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