4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid

C20H27NO3 — CID 120672939

IUPAC4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C20H27NO3/c22-19(16-10-12-17(13-11-16)20(23)24)21-18(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,21,22)(H,23,24)
InChIKeyPJDNJGFXEVHPLF-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.93
Rot. Bonds5

About 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672939) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672939
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C20H27NO3/c22-19(16-10-12-17(13-11-16)20(23)24)21-18(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,21,22)(H,23,24)
InChIKeyPJDNJGFXEVHPLF-UHFFFAOYSA-N
XLogP3.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 167890511
(4R)-N-[(R)-cyclopentyl(phenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97081118
N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55690179
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
4-N-[cyclopropyl(phenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 47028583
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
CID 122031155
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672939) is 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PJDNJGFXEVHPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-19(16-10-12-17(13-11-16)20(23)24)21-18(15-8-4-5-9-15)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-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).