N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide

• ChemBase ID: 711204
• Molecular Formular: C18H29N3O3
• Molecular Mass: 335.44116
• Monoisotopic Mass: 335.2208918
• SMILES: N(CC(=O)NCCc1c(cc(cc1)OC)OC)(C1CCNCC1)C
• Canonical SMILES: COc1cc(OC)ccc1CCNC(=O)CN(C1CCNCC1)C
• InChI: InChI=1S/C18H29N3O3/c1-21(15-7-9-19-10-8-15)13-18(22)20-11-6-14-4-5-16(23-2)12-17(14)24-3/h4-5,12,15,19H,6-11,13H2,1-3H3,(H,20,22)
• InChIKey: WJPIEADULAEMOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
• IUPAC Traditional name: N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
• Synonyms: N~1~-[2-(2,4-dimethoxyphenyl)ethyl]-N~2~-methyl-N~2~-piperidin-4-ylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.482005
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.8943388
• LogD (pH = 7.4): -2.3256168
• Log P: 0.42643622
• Molar Refractivity: 95.242 cm^3
• Polarizability: 37.309933 Å^3
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.16
• LOG S: -2.64
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 8