2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid

C16H21NO3 — CID 121005204

IUPAC2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
SMILESCc1c(CC(=O)O)cccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO3/c1-11-12(10-15(18)19)6-5-9-14(11)16(20)17-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyBFLRQHIITWBUJK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.68
Rot. Bonds4

About 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid

2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid (PubChem CID 121005204) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
PubChem CID121005204
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
SMILESCc1c(CC(=O)O)cccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO3/c1-11-12(10-15(18)19)6-5-9-14(11)16(20)17-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyBFLRQHIITWBUJK-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid?
The IUPAC name of 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid (CID 121005204) is 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid?
The canonical SMILES for 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid is Cc1c(CC(=O)O)cccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid?
The InChIKey is BFLRQHIITWBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-12(10-15(18)19)6-5-9-14(11)16(20)17-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid?
2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid is sourced from PubChem (CID 121005204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).