4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C17H23NO4 — CID 119229909

IUPAC4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(CC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-15-9-3-12(4-10-15)11-16(19)18-14-7-5-13(6-8-14)17(20)21/h3-4,9-10,13-14H,2,5-8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyGSQBBMWZJWXDSZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.39
Rot. Bonds6

About 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229909) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229909
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(CC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-15-9-3-12(4-10-15)11-16(19)18-14-7-5-13(6-8-14)17(20)21/h3-4,9-10,13-14H,2,5-8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyGSQBBMWZJWXDSZ-UHFFFAOYSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 78785999
4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229254
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
4-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229216
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119229338
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108561337

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119229909) is 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is CCOc1ccc(CC(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GSQBBMWZJWXDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-22-15-9-3-12(4-10-15)11-16(19)18-14-7-5-13(6-8-14)17(20)21/h3-4,9-10,13-14H,2,5-8,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).