3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride

C15H23ClN2O — CID 119717318

IUPAC3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride
SMILESCC1CCCC(N(C)C(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-3-8-14(9-11)17(2)15(18)12-6-4-7-13(16)10-12;/h4,6-7,10-11,14H,3,5,8-9,16H2,1-2H3;1H
InChIKeyAUABJAIJRSEBMN-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.34
Rot. Bonds2

About 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride

3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride (PubChem CID 119717318) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride
PubChem CID119717318
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride
SMILESCC1CCCC(N(C)C(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-3-8-14(9-11)17(2)15(18)12-6-4-7-13(16)10-12;/h4,6-7,10-11,14H,3,5,8-9,16H2,1-2H3;1H
InChIKeyAUABJAIJRSEBMN-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride 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-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 81094084
4-fluoro-N,3-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 63213240
4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
CID 107024734
2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 115540492
3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
CID 119783133
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride (CID 119717318) is 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride is CC1CCCC(N(C)C(=O)c2cccc(N)c2)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride?
The InChIKey is AUABJAIJRSEBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-5-3-8-14(9-11)17(2)15(18)12-6-4-7-13(16)10-12;/h4,6-7,10-11,14H,3,5,8-9,16H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride?
3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride is sourced from PubChem (CID 119717318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).