N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

• ChemBase ID: 669683
• Molecular Formular: C24H26N2O
• Molecular Mass: 358.47604
• Monoisotopic Mass: 358.20451346
• SMILES: C(=O)(CC(c1ccc(cc1)C)c1ccccc1)N(Cc1ccncc1)CC
• Canonical SMILES: CCN(C(=O)CC(c1ccc(cc1)C)c1ccccc1)Cc1ccncc1
• InChI: InChI=1S/C24H26N2O/c1-3-26(18-20-13-15-25-16-14-20)24(27)17-23(21-7-5-4-6-8-21)22-11-9-19(2)10-12-22/h4-16,23H,3,17-18H2,1-2H3
• InChIKey: SZGTZHZRIMUHID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
• IUPAC Traditional name: N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
• Synonyms: N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3842216
• LogD (pH = 7.4): 4.4922056
• Log P: 4.4938254
• Molar Refractivity: 110.4713 cm^3
• Polarizability: 42.686832 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.03
• LOG S: -3.96
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7