N-(2-amino-4-methylphenyl)cyclohexanecarboxamide

• ChemBase ID: 311927
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(Nc1c(cc(cc1)C)N)C1CCCCC1
• Canonical SMILES: O=C(C1CCCCC1)Nc1ccc(cc1N)C
• InChI: InChI=1S/C14H20N2O/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H,16,17)
• InChIKey: HBIBFKINUYCIMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-methylphenyl)cyclohexanecarboxamide
• IUPAC Traditional name: N-(2-amino-4-methylphenyl)cyclohexanecarboxamide
• Synonyms: N-(2-amino-4-methylphenyl)cyclohexanecarboxamide

Database IDs

• CAS Number: 885559-69-3
• MDL Number: MFCD03898662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.002773
• LogD (pH = 7.4): 3.0088754
• Log P: 3.0089538
• Molar Refractivity: 71.8648 cm^3
• Polarizability: 26.592842 Å^3
• Polar Surface Area: 55.12 Å^2