2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide

C16H24N2O2 — CID 115413365

IUPAC2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)CC(C)C2)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-10-6-11(2)8-12(7-10)18-16(19)14-5-4-13(20-3)9-15(14)17/h4-5,9-12H,6-8,17H2,1-3H3,(H,18,19)
InChIKeySANBITYYKSISIW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide

2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide (PubChem CID 115413365) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
PubChem CID115413365
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)CC(C)C2)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-10-6-11(2)8-12(7-10)18-16(19)14-5-4-13(20-3)9-15(14)17/h4-5,9-12H,6-8,17H2,1-3H3,(H,18,19)
InChIKeySANBITYYKSISIW-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide 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

2-amino-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 115413150
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
2-amino-N-(2,3-dimethylcyclopentyl)-4-methoxybenzamide
CID 115413379
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 104529359
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide (CID 115413365) is 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CC(C)CC(C)C2)c(N)c1.
What is the InChIKey of 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide?
The InChIKey is SANBITYYKSISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-6-11(2)8-12(7-10)18-16(19)14-5-4-13(20-3)9-15(14)17/h4-5,9-12H,6-8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide?
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide is sourced from PubChem (CID 115413365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).