3-amino-N-cyclohexyl-2-methylbenzamide

• ChemBase ID: 311410
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(c1c(c(N)ccc1)C)NC1CCCCC1
• Canonical SMILES: O=C(c1cccc(c1C)N)NC1CCCCC1
• InChI: InChI=1S/C14H20N2O/c1-10-12(8-5-9-13(10)15)14(17)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,15H2,1H3,(H,16,17)
• InChIKey: CWCLPHOIZSZWDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-cyclohexyl-2-methylbenzamide
• IUPAC Traditional name: 3-amino-N-cyclohexyl-2-methylbenzamide
• Synonyms: 3-amino-N-cyclohexyl-2-methylbenzamide

Database IDs

• CAS Number: 903843-12-9
• MDL Number: MFCD02032187

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5285463
• LogD (pH = 7.4): 2.531293
• Log P: 2.5313282
• Molar Refractivity: 70.7889 cm^3
• Polarizability: 26.385008 Å^3
• Polar Surface Area: 55.12 Å^2