2-[(4-methylphenyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)propanamide

• ChemBase ID: 573648
• Molecular Formular: C22H23N3O
• Molecular Mass: 345.43752
• Monoisotopic Mass: 345.18411237
• SMILES: C(C(=O)NCc1ncccc1)(Nc1ccc(cc1)C)(c1ccccc1)C
• Canonical SMILES: Cc1ccc(cc1)NC(c1ccccc1)(C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C22H23N3O/c1-17-11-13-19(14-12-17)25-22(2,18-8-4-3-5-9-18)21(26)24-16-20-10-6-7-15-23-20/h3-15,25H,16H2,1-2H3,(H,24,26)
• InChIKey: ZRQPYCYOKNTTIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methylphenyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
• IUPAC Traditional name: 2-[(4-methylphenyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
• Synonyms: 2-[(4-methylphenyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.589091
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.7935967
• LogD (pH = 7.4): 3.8113976
• Log P: 3.81163
• Molar Refractivity: 105.1012 cm^3
• Polarizability: 40.11646 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.13
• LOG S: -3.09
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 6