2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

C15H19NO3 — CID 64812501

IUPAC2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-10-5-4-6-11(9-10)14(17)16-13-8-3-2-7-12(13)15(18)19/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPZIBNJKXDMTSTF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.37
Rot. Bonds3

About 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64812501) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64812501
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-10-5-4-6-11(9-10)14(17)16-13-8-3-2-7-12(13)15(18)19/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPZIBNJKXDMTSTF-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
N-cyclooctyl-3-methylbenzamide
CID 966011
2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813950
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712391

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 64812501) is 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is Cc1cccc(C(=O)NC2CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PZIBNJKXDMTSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-5-4-6-11(9-10)14(17)16-13-8-3-2-7-12(13)15(18)19/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64812501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).