2-methyl-2-(phenylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

• ChemBase ID: 758455
• Molecular Formular: C23H31N3O
• Molecular Mass: 365.51174
• Monoisotopic Mass: 365.24671263
• SMILES: C(=O)(C(Nc1ccccc1)(C)C)NC1CN(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(C(Nc1ccccc1)(C)C)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C23H31N3O/c1-23(2,25-20-12-7-4-8-13-20)22(27)24-21-14-9-16-26(18-21)17-15-19-10-5-3-6-11-19/h3-8,10-13,21,25H,9,14-18H2,1-2H3,(H,24,27)
• InChIKey: CKUZXWCLSFSXTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(phenylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: 2-methyl-2-(phenylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• Synonyms: 2-methyl-N~2~-phenyl-N~1~-[1-(2-phenylethyl)-3-piperidinyl]alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.729939
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1213874
• LogD (pH = 7.4): 2.893257
• Log P: 3.8396142
• Molar Refractivity: 112.8604 cm^3
• Polarizability: 43.282497 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.32
• LOG S: -4.7
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 7