2-[(4-methylcyclohexyl)carbamoyl]benzoic acid

C15H19NO3 — CID 3606557

IUPAC2-[(4-methylcyclohexyl)carbamoyl]benzoic acid
SMILESCC1CCC(NC(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C15H19NO3/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-5,10-11H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOIRWECACGRGZCZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.69
Rot. Bonds3

About 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid

2-[(4-methylcyclohexyl)carbamoyl]benzoic acid (PubChem CID 3606557) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)carbamoyl]benzoic acid
PubChem CID3606557
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(4-methylcyclohexyl)carbamoyl]benzoic acid
SMILESCC1CCC(NC(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C15H19NO3/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-5,10-11H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOIRWECACGRGZCZ-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylcyclohexyl)carbamoyl]benzoic 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-[(4-methylcyclohexyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid (CID 3606557) is 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid is CC1CCC(NC(=O)c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid?
The InChIKey is OIRWECACGRGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-5,10-11H,6-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid?
2-[(4-methylcyclohexyl)carbamoyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)carbamoyl]benzoic acid is sourced from PubChem (CID 3606557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).