N-(4-{[(2-methoxyethyl)[(4-methylphenyl)methyl]amino]methyl}phenyl)acetamide

• ChemBase ID: 517606
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: C(=O)(Nc1ccc(CN(Cc2ccc(cc2)C)CCOC)cc1)C
• Canonical SMILES: COCCN(Cc1ccc(cc1)C)Cc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C20H26N2O2/c1-16-4-6-18(7-5-16)14-22(12-13-24-3)15-19-8-10-20(11-9-19)21-17(2)23/h4-11H,12-15H2,1-3H3,(H,21,23)
• InChIKey: ZQLVPNVUHSJDBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[(2-methoxyethyl)[(4-methylphenyl)methyl]amino]methyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[(2-methoxyethyl)[(4-methylphenyl)methyl]amino]methyl}phenyl)acetamide
• Synonyms: N-(4-{[(2-methoxyethyl)(4-methylbenzyl)amino]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.355077
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5095707
• LogD (pH = 7.4): 2.2685466
• Log P: 3.343272
• Molar Refractivity: 100.161 cm^3
• Polarizability: 38.00256 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.32
• LOG S: -4.41
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8