N-ethyl-N-methyl-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]acetamide

• ChemBase编号: 323245
• 分子式: C23H28N2O3
• 平均质量: 380.48002
• 单一同位素质量: 380.20999277
• SMILES: C(=O)(CN1CC(C(=O)c2ccc(Oc3ccccc3)cc2)CCC1)N(CC)C
• Canonical SMILES: CCN(C(=O)CN1CCCC(C1)C(=O)c1ccc(cc1)Oc1ccccc1)C
• InChI: InChI=1S/C23H28N2O3/c1-3-24(2)22(26)17-25-15-7-8-19(16-25)23(27)18-11-13-21(14-12-18)28-20-9-5-4-6-10-20/h4-6,9-14,19H,3,7-8,15-17H2,1-2H3
• InChIKey: MEZLUNJHEHZRDG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-methyl-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]acetamide
• IUPAC传统名: N-ethyl-N-methyl-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]acetamide
• 别名: N-ethyl-N-methyl-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]acetamide

理论计算性质

Provided by Chembridge

• Log P: 4.35
• LOG S: -5.69
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 7
• 质子受体: 4
• 质子供体: 0

JChem

• 摩尔折射率: 110.7227 cm^3
• 极化性: 42.97272 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• Acid pKa: 16.600441
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6852967
• LogD (pH = 7.4): 3.0164485
• Log P: 3.1489146