4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid

C20H27NO3 — CID 120673133

IUPAC4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C20H27NO3/c22-19(15-10-12-16(13-11-15)20(23)24)21-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,21,22)(H,23,24)
InChIKeyONJKPYPEWRYRJV-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.72
Rot. Bonds4

About 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673133) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673133
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C20H27NO3/c22-19(15-10-12-16(13-11-15)20(23)24)21-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,21,22)(H,23,24)
InChIKeyONJKPYPEWRYRJV-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-phenylcyclohexyl)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

Related Compounds

N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001828
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
N-(2-phenylcyclopentyl)piperidine-3-carboxamide;hydrochloride
CID 119323289
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
N-(2-phenylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119323259
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
2-(cyclopropylmethylamino)-N-(2-phenylcyclopentyl)acetamide
CID 119783077

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673133) is 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCCCC2c2ccccc2)CC1.
What is the InChIKey of 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ONJKPYPEWRYRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-19(15-10-12-16(13-11-15)20(23)24)21-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,21,22)(H,23,24).
What are the key properties of 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).