(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate

C20H29NO4 — CID 78835716

IUPAC(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
SMILESCCC1CCCCC1OC(=O)CC(NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H29NO4/c1-4-15-7-5-6-8-19(15)25-20(23)13-18(21-14(2)22)16-9-11-17(24-3)12-10-16/h9-12,15,18-19H,4-8,13H2,1-3H3,(H,21,22)
InChIKeySFNZCNSLGJAXFP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.77
Rot. Bonds7

About (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate

(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate (PubChem CID 78835716) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
PubChem CID78835716
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
SMILESCCC1CCCCC1OC(=O)CC(NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H29NO4/c1-4-15-7-5-6-8-19(15)25-20(23)13-18(21-14(2)22)16-9-11-17(24-3)12-10-16/h9-12,15,18-19H,4-8,13H2,1-3H3,(H,21,22)
InChIKeySFNZCNSLGJAXFP-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548
(3S)-3-acetamido-N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951550
N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 46696415
(4-bromo-2-chlorophenyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
CID 43038695
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124589509
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate?
The IUPAC name of (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate (CID 78835716) is (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate is CCC1CCCCC1OC(=O)CC(NC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate?
The InChIKey is SFNZCNSLGJAXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-4-15-7-5-6-8-19(15)25-20(23)13-18(21-14(2)22)16-9-11-17(24-3)12-10-16/h9-12,15,18-19H,4-8,13H2,1-3H3,(H,21,22).
What are the key properties of (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate?
(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate has a molecular weight of 347.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 78835716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).