N-{2-[2-(2-methoxyethoxy)acetamido]-4-methylphenyl}benzamide

• ChemBase ID: 387056
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: C(=O)(Nc1c(NC(=O)COCCOC)cc(cc1)C)c1ccccc1
• Canonical SMILES: COCCOCC(=O)Nc1cc(C)ccc1NC(=O)c1ccccc1
• InChI: InChI=1S/C19H22N2O4/c1-14-8-9-16(21-19(23)15-6-4-3-5-7-15)17(12-14)20-18(22)13-25-11-10-24-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: MHALOYHNZNQXLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(2-methoxyethoxy)acetamido]-4-methylphenyl}benzamide
• IUPAC Traditional name: N-{2-[2-(2-methoxyethoxy)acetamido]-4-methylphenyl}benzamide
• Synonyms: N-(2-{[(2-methoxyethoxy)acetyl]amino}-4-methylphenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.004626
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5951653
• LogD (pH = 7.4): 2.595155
• Log P: 2.5951653
• Molar Refractivity: 98.9926 cm^3
• Polarizability: 36.495888 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.68
• LOG S: -3.13
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8