N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide

• ChemBase ID: 552739
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: N1(C(=O)CCCC1)CC(=O)N(Cc1cc(c(cc1)OC)OCC)C
• Canonical SMILES: CCOc1cc(ccc1OC)CN(C(=O)CN1CCCCC1=O)C
• InChI: InChI=1S/C18H26N2O4/c1-4-24-16-11-14(8-9-15(16)23-3)12-19(2)18(22)13-20-10-6-5-7-17(20)21/h8-9,11H,4-7,10,12-13H2,1-3H3
• InChIKey: SAOQKZLJUFOOBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide
• IUPAC Traditional name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide
• Synonyms: N-(3-ethoxy-4-methoxybenzyl)-N-methyl-2-(2-oxopiperidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.465944
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9729668
• LogD (pH = 7.4): 0.9729668
• Log P: 0.9729668
• Molar Refractivity: 91.7434 cm^3
• Polarizability: 35.483616 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.48
• LOG S: -2.9
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7