3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide

C15H22N2O — CID 113396124

IUPAC3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
SMILESCc1cc(N)cc(C(=O)NC2CCCC(C)C2)c1
InChIInChI=1S/C15H22N2O/c1-10-4-3-5-14(8-10)17-15(18)12-6-11(2)7-13(16)9-12/h6-7,9-10,14H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyMNPGPFQAAAKEGR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds2

About 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide

3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide (PubChem CID 113396124) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
PubChem CID113396124
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
SMILESCc1cc(N)cc(C(=O)NC2CCCC(C)C2)c1
InChIInChI=1S/C15H22N2O/c1-10-4-3-5-14(8-10)17-15(18)12-6-11(2)7-13(16)9-12/h6-7,9-10,14H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyMNPGPFQAAAKEGR-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114546480

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide (CID 113396124) is 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide is Cc1cc(N)cc(C(=O)NC2CCCC(C)C2)c1.
What is the InChIKey of 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide?
The InChIKey is MNPGPFQAAAKEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-4-3-5-14(8-10)17-15(18)12-6-11(2)7-13(16)9-12/h6-7,9-10,14H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide?
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 113396124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).