3-amino-N-(3,5-dimethylcyclohexyl)benzamide

C15H22N2O — CID 64733610

IUPAC3-amino-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C15H22N2O/c1-10-6-11(2)8-14(7-10)17-15(18)12-4-3-5-13(16)9-12/h3-5,9-11,14H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyDTDXIKWPGNMWQS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.82
Rot. Bonds2

About 3-amino-N-(3,5-dimethylcyclohexyl)benzamide

3-amino-N-(3,5-dimethylcyclohexyl)benzamide (PubChem CID 64733610) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylcyclohexyl)benzamide
PubChem CID64733610
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C15H22N2O/c1-10-6-11(2)8-14(7-10)17-15(18)12-4-3-5-13(16)9-12/h3-5,9-11,14H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyDTDXIKWPGNMWQS-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 77054227
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
CID 119889091
(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide
CID 115344331
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
CID 119783133
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)benzamide?
The IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)benzamide (CID 64733610) is 3-amino-N-(3,5-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylcyclohexyl)benzamide is CC1CC(C)CC(NC(=O)c2cccc(N)c2)C1.
What is the InChIKey of 3-amino-N-(3,5-dimethylcyclohexyl)benzamide?
The InChIKey is DTDXIKWPGNMWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-11(2)8-14(7-10)17-15(18)12-4-3-5-13(16)9-12/h3-5,9-11,14H,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(3,5-dimethylcyclohexyl)benzamide?
3-amino-N-(3,5-dimethylcyclohexyl)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 64733610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).