3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid

C16H22N2O3 — CID 61184202

IUPAC3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H22N2O3/c1-10-6-8-12(9-7-10)17-16(21)18-14-11(2)4-3-5-13(14)15(19)20/h3-5,10,12H,6-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWCORRDCZXVBUON-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.39
Rot. Bonds3

About 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid

3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid (PubChem CID 61184202) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
PubChem CID61184202
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H22N2O3/c1-10-6-8-12(9-7-10)17-16(21)18-14-11(2)4-3-5-13(14)15(19)20/h3-5,10,12H,6-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWCORRDCZXVBUON-UHFFFAOYSA-N
XLogP3.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
CID 61197742
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80714704
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
3-fluoro-2-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 81498841
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62331471
2-(cyclooctylamino)-3-methylbenzoic acid
CID 107111851
2-fluoro-5-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61185098

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid (CID 61184202) is 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid is Cc1cccc(C(=O)O)c1NC(=O)NC1CCC(C)CC1.
What is the InChIKey of 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid?
The InChIKey is WCORRDCZXVBUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-6-8-12(9-7-10)17-16(21)18-14-11(2)4-3-5-13(14)15(19)20/h3-5,10,12H,6-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid?
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61184202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).