N-methyl-2-oxo-N-phenyl-2-(3-propoxypiperidin-1-yl)acetamide

• ChemBase编号: 850740
• 分子式: C17H24N2O3
• 平均质量: 304.38406
• 单一同位素质量: 304.17869264
• SMILES: C(=O)(C(=O)N1CC(OCCC)CCC1)N(c1ccccc1)C
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)C(=O)N(c1ccccc1)C
• InChI: InChI=1S/C17H24N2O3/c1-3-12-22-15-10-7-11-19(13-15)17(21)16(20)18(2)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3
• InChIKey: WCLKLIASHSDYAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-oxo-N-phenyl-2-(3-propoxypiperidin-1-yl)acetamide
• IUPAC传统名: N-methyl-2-oxo-N-phenyl-2-(3-propoxypiperidin-1-yl)acetamide
• 别名: N-methyl-2-oxo-N-phenyl-2-(3-propoxypiperidin-1-yl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9729453
• LogD (pH = 7.4): 1.9729453
• Log P: 1.9729453
• 摩尔折射率: 84.9747 cm^3
• 极化性: 32.95762 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.28
• LOG S: -2.51
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5