2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H20N2O4 — CID 2839542

IUPAC2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O4/c1-10(19)17-11-5-4-6-12(9-11)18-15(20)13-7-2-3-8-14(13)16(21)22/h4-6,9,13-14H,2-3,7-8H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyJRMZHAIDBWNOAA-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.47
Rot. Bonds4

About 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2839542) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2839542
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O4/c1-10(19)17-11-5-4-6-12(9-11)18-15(20)13-7-2-3-8-14(13)16(21)22/h4-6,9,13-14H,2-3,7-8H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyJRMZHAIDBWNOAA-UHFFFAOYSA-N
XLogP2.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2839542) is 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(=O)Nc1cccc(NC(=O)C2CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JRMZHAIDBWNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(19)17-11-5-4-6-12(9-11)18-15(20)13-7-2-3-8-14(13)16(21)22/h4-6,9,13-14H,2-3,7-8H2,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2839542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).