2-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]acetamide

• ChemBase ID: 553123
• Molecular Formular: C19H23NO3
• Molecular Mass: 313.39082
• Monoisotopic Mass: 313.1677936
• SMILES: N(C(=O)COC)(Cc1c(OC)cccc1)Cc1cc(ccc1)C
• Canonical SMILES: COCC(=O)N(Cc1ccccc1OC)Cc1cccc(c1)C
• InChI: InChI=1S/C19H23NO3/c1-15-7-6-8-16(11-15)12-20(19(21)14-22-2)13-17-9-4-5-10-18(17)23-3/h4-11H,12-14H2,1-3H3
• InChIKey: QKHPNWNCOWSYCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]acetamide
• Synonyms: 2-methoxy-N-(2-methoxybenzyl)-N-(3-methylbenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Polarizability: 35.30763 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 19.748083
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0476387
• LogD (pH = 7.4): 3.0476387
• Log P: 3.0476387
• Molar Refractivity: 91.4423 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 3.15
• LOG S: -4.17