4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C18H24N2O4 — CID 120673195

IUPAC4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(21)20-16-8-2-13(3-9-16)10-11-19-17(22)14-4-6-15(7-5-14)18(23)24/h2-3,8-9,14-15H,4-7,10-11H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyQMRJCIMDACLICR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.19
Rot. Bonds6

About 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673195) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673195
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(21)20-16-8-2-13(3-9-16)10-11-19-17(22)14-4-6-15(7-5-14)18(23)24/h2-3,8-9,14-15H,4-7,10-11H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyQMRJCIMDACLICR-UHFFFAOYSA-N
XLogP2.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
4-[2-(4-nitrophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673048
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 110351886
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
3-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]propanoic acid
CID 119252599

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673195) is 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(=O)Nc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QMRJCIMDACLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(21)20-16-8-2-13(3-9-16)10-11-19-17(22)14-4-6-15(7-5-14)18(23)24/h2-3,8-9,14-15H,4-7,10-11H2,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).