5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid

C16H21NO3 — CID 106826163

IUPAC5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)C2(C)CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H21NO3/c1-11-6-7-13(12(10-11)14(18)19)17-15(20)16(2)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKZFZCZKTSSIGAZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.60
Rot. Bonds3

About 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid

5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid (PubChem CID 106826163) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
PubChem CID106826163
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)C2(C)CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H21NO3/c1-11-6-7-13(12(10-11)14(18)19)17-15(20)16(2)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKZFZCZKTSSIGAZ-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 61159058
methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 112729549
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
1-methyl-N-(5-methyl-2-phenylsulfanylcarbonylsulfanylphenyl)cyclohexane-1-carboxamide
CID 89417733
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1-methylcyclohexane-1-carboxamide
CID 106828212
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid (CID 106826163) is 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid is Cc1ccc(NC(=O)C2(C)CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
The InChIKey is KZFZCZKTSSIGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-6-7-13(12(10-11)14(18)19)17-15(20)16(2)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid has a molecular weight of 275.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 106826163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).