2-methyl-3-[(4-methylcyclohexyl)amino]benzamide

C15H22N2O — CID 43694058

IUPAC2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
SMILESCc1c(NC2CCC(C)CC2)cccc1C(N)=O
InChIInChI=1S/C15H22N2O/c1-10-6-8-12(9-7-10)17-14-5-3-4-13(11(14)2)15(16)18/h3-5,10,12,17H,6-9H2,1-2H3,(H2,16,18)
InChIKeyRBSPXNGPYZZDSU-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds3

About 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide

2-methyl-3-[(4-methylcyclohexyl)amino]benzamide (PubChem CID 43694058) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
PubChem CID43694058
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
SMILESCc1c(NC2CCC(C)CC2)cccc1C(N)=O
InChIInChI=1S/C15H22N2O/c1-10-6-8-12(9-7-10)17-14-5-3-4-13(11(14)2)15(16)18/h3-5,10,12,17H,6-9H2,1-2H3,(H2,16,18)
InChIKeyRBSPXNGPYZZDSU-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
CID 79723896
3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
CID 80560029
2-(cyclopropylamino)benzamide
CID 119089293
3-[(2-methoxycyclohexyl)amino]-2-methylbenzamide
CID 43783378
2-amino-3-[(4-propylcyclohexyl)amino]benzamide
CID 115545356
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
2-amino-3-[(1,1-dioxothian-4-yl)amino]benzamide
CID 115544921
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
CID 79860471
3-[(4-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 43737246
2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
CID 115400523
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209
methyl 3-[(1-carbamoylpiperidin-4-yl)amino]-2-methylbenzoate
CID 43784592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
The IUPAC name of 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide (CID 43694058) is 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
The canonical SMILES for 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide is Cc1c(NC2CCC(C)CC2)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
The InChIKey is RBSPXNGPYZZDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-8-12(9-7-10)17-14-5-3-4-13(11(14)2)15(16)18/h3-5,10,12,17H,6-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide has a molecular weight of 246.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43694058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).