N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(prop-2-en-1-yl)propanamide

• ChemBase ID: 783653
• Molecular Formular: C20H23NO2
• Molecular Mass: 309.40212
• Monoisotopic Mass: 309.17287898
• SMILES: C(=O)(N(Cc1c(OC)cccc1)CC=C)C(c1ccccc1)C
• Canonical SMILES: C=CCN(C(=O)C(c1ccccc1)C)Cc1ccccc1OC
• InChI: InChI=1S/C20H23NO2/c1-4-14-21(15-18-12-8-9-13-19(18)23-3)20(22)16(2)17-10-6-5-7-11-17/h4-13,16H,1,14-15H2,2-3H3
• InChIKey: BKUUIFBIENUKRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(prop-2-en-1-yl)propanamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(prop-2-en-1-yl)propanamide
• Synonyms: N-allyl-N-(2-methoxybenzyl)-2-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0924416
• LogD (pH = 7.4): 4.0924416
• Log P: 4.0924416
• Molar Refractivity: 93.7942 cm^3
• Polarizability: 36.319733 Å^3
• Polar Surface Area: 29.54 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: 3.66
• LOG S: -4.58
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7