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

C15H19NO3 — CID 55237916

IUPAC4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyYQZQYOBFFIBQTO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.54
Rot. Bonds3

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

4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 55237916) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID55237916
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyYQZQYOBFFIBQTO-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
4-[methyl-(3-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674140
4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165543
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
N,6-dimethyl-N-phenylpiperidine-3-carboxamide
CID 24699360
4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782486
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 92533966
4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150526

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 55237916) is 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YQZQYOBFFIBQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h2-6,11-12H,7-10H2,1H3,(H,18,19).
What are the key properties of 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55237916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).