3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide

C18H28N2O2 — CID 82070419

IUPAC3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC2CCCCC2C)cc1N
InChIInChI=1S/C18H28N2O2/c1-12(2)11-22-17-9-8-14(10-15(17)19)18(21)20-16-7-5-4-6-13(16)3/h8-10,12-13,16H,4-7,11,19H2,1-3H3,(H,20,21)
InChIKeyWHGKVEJBIFOOPQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.61
Rot. Bonds5

About 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide

3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide (PubChem CID 82070419) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
PubChem CID82070419
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC2CCCCC2C)cc1N
InChIInChI=1S/C18H28N2O2/c1-12(2)11-22-17-9-8-14(10-15(17)19)18(21)20-16-7-5-4-6-13(16)3/h8-10,12-13,16H,4-7,11,19H2,1-3H3,(H,20,21)
InChIKeyWHGKVEJBIFOOPQ-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)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-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
CID 82070335
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 42966109
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194526
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
CID 82070423

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide (CID 82070419) is 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NC2CCCCC2C)cc1N.
What is the InChIKey of 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is WHGKVEJBIFOOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)11-22-17-9-8-14(10-15(17)19)18(21)20-16-7-5-4-6-13(16)3/h8-10,12-13,16H,4-7,11,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide?
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 304.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 82070419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).