4-amino-N-(3,4-dimethylcyclohexyl)benzamide

C15H22N2O — CID 64738901

IUPAC4-amino-N-(3,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(N)cc2)CC1C
InChIInChI=1S/C15H22N2O/c1-10-3-8-14(9-11(10)2)17-15(18)12-4-6-13(16)7-5-12/h4-7,10-11,14H,3,8-9,16H2,1-2H3,(H,17,18)
InChIKeyKWJMTNOLAMFDQR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.82
Rot. Bonds2

About 4-amino-N-(3,4-dimethylcyclohexyl)benzamide

4-amino-N-(3,4-dimethylcyclohexyl)benzamide (PubChem CID 64738901) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethylcyclohexyl)benzamide
PubChem CID64738901
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-amino-N-(3,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(N)cc2)CC1C
InChIInChI=1S/C15H22N2O/c1-10-3-8-14(9-11(10)2)17-15(18)12-4-6-13(16)7-5-12/h4-7,10-11,14H,3,8-9,16H2,1-2H3,(H,17,18)
InChIKeyKWJMTNOLAMFDQR-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

4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 64741481
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
CID 104578730
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
6-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64743995
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
CID 64743154
3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 113447750
4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
CID 119701795
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 4-amino-N-(3,4-dimethylcyclohexyl)benzamide (CID 64738901) is 4-amino-N-(3,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 4-amino-N-(3,4-dimethylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(N)cc2)CC1C.
What is the InChIKey of 4-amino-N-(3,4-dimethylcyclohexyl)benzamide?
The InChIKey is KWJMTNOLAMFDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-3-8-14(9-11(10)2)17-15(18)12-4-6-13(16)7-5-12/h4-7,10-11,14H,3,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(3,4-dimethylcyclohexyl)benzamide?
4-amino-N-(3,4-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 4-amino-N-(3,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 64738901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).