4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid

C20H27NO3 — CID 177244716

IUPAC4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cccc(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H27NO3/c22-19(21-18-7-2-1-3-8-18)17-6-4-5-16(13-17)14-9-11-15(12-10-14)20(23)24/h4-6,13-15,18H,1-3,7-12H2,(H,21,22)(H,23,24)
InChIKeyHGXJVLSNEUTPOF-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.11
Rot. Bonds4

About 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid

4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 177244716) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID177244716
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cccc(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H27NO3/c22-19(21-18-7-2-1-3-8-18)17-6-4-5-16(13-17)14-9-11-15(12-10-14)20(23)24/h4-6,13-15,18H,1-3,7-12H2,(H,21,22)(H,23,24)
InChIKeyHGXJVLSNEUTPOF-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
[3-(cyclopentylcarbamoyl)phenyl]borinic acid
CID 142459248
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid (CID 177244716) is 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1)c1cccc(C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is HGXJVLSNEUTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-19(21-18-7-2-1-3-8-18)17-6-4-5-16(13-17)14-9-11-15(12-10-14)20(23)24/h4-6,13-15,18H,1-3,7-12H2,(H,21,22)(H,23,24).
What are the key properties of 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid?
4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 177244716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).