N-methyl-2-[(4-methylphenyl)amino]-2-phenylpropanamide

• ChemBase ID: 353644
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: C(C(=O)NC)(Nc1ccc(cc1)C)(c1ccccc1)C
• Canonical SMILES: CNC(=O)C(c1ccccc1)(Nc1ccc(cc1)C)C
• InChI: InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)19-17(2,16(20)18-3)14-7-5-4-6-8-14/h4-12,19H,1-3H3,(H,18,20)
• InChIKey: GIYDMHBGHOZVAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[(4-methylphenyl)amino]-2-phenylpropanamide
• IUPAC Traditional name: N-methyl-2-[(4-methylphenyl)amino]-2-phenylpropanamide
• Synonyms: N-methyl-2-[(4-methylphenyl)amino]-2-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.562788
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.223304
• LogD (pH = 7.4): 3.2233567
• Log P: 3.2233574
• Molar Refractivity: 83.1677 cm^3
• Polarizability: 31.417015 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 2
• Log P: 2.75
• LOG S: -3.5
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4