2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid

C15H19NO3 — CID 114199766

IUPAC2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19NO3/c17-14(18)10-11-6-4-5-9-13(11)15(19)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H,16,19)(H,17,18)
InChIKeySNCMPAUNDOAMRZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid

2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid (PubChem CID 114199766) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
PubChem CID114199766
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19NO3/c17-14(18)10-11-6-4-5-9-13(11)15(19)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H,16,19)(H,17,18)
InChIKeySNCMPAUNDOAMRZ-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
CID 121005204
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
N-cyclohexyl-2-(N-hydroxy-C-methylcarbonimidoyl)benzamide
CID 88846781
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid (CID 114199766) is 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid is O=C(O)Cc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid?
The InChIKey is SNCMPAUNDOAMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)10-11-6-4-5-9-13(11)15(19)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid?
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid is sourced from PubChem (CID 114199766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).