N-(3,4-dimethylphenyl)-2-{[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amino}acetamide

• ChemBase ID: 573256
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: N(C(c1ncccc1)COC)(CC(=O)Nc1cc(c(cc1)C)C)C
• Canonical SMILES: COCC(c1ccccn1)N(CC(=O)Nc1ccc(c(c1)C)C)C
• InChI: InChI=1S/C19H25N3O2/c1-14-8-9-16(11-15(14)2)21-19(23)12-22(3)18(13-24-4)17-7-5-6-10-20-17/h5-11,18H,12-13H2,1-4H3,(H,21,23)
• InChIKey: QGSSQAMILRIVOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)-2-{[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amino}acetamide
• IUPAC Traditional name: N-(3,4-dimethylphenyl)-2-{[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amino}acetamide
• Synonyms: N-(3,4-dimethylphenyl)-2-[(2-methoxy-1-pyridin-2-ylethyl)(methyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.817207
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.558866
• LogD (pH = 7.4): 2.87654
• Log P: 2.8825507
• Molar Refractivity: 97.1547 cm^3
• Polarizability: 37.015385 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.37
• LOG S: -2.31
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7