N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide

• ChemBase ID: 524107
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: N(C(=O)CC)(Cc1cc(ccc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: CCC(=O)N(Cc1cccc(c1)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C19H23NO2/c1-4-19(21)20(14-17-7-5-6-15(2)12-17)13-16-8-10-18(22-3)11-9-16/h5-12H,4,13-14H2,1-3H3
• InChIKey: QDVUYFCVPBKVIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
• Synonyms: N-(4-methoxybenzyl)-N-(3-methylbenzyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.922296
• LogD (pH = 7.4): 3.922296
• Log P: 3.922296
• Molar Refractivity: 89.6158 cm^3
• Polarizability: 34.63055 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.58
• LOG S: -4.43
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6