N-[(1-methylpiperidin-4-yl)methyl]-3-phenoxy-N-(2-phenylethyl)propanamide

• ChemBase编号: 324820
• 分子式: C24H32N2O2
• 平均质量: 380.52308
• 单一同位素质量: 380.24637827
• SMILES: C(=O)(N(CC1CCN(CC1)C)CCc1ccccc1)CCOc1ccccc1
• Canonical SMILES: CN1CCC(CC1)CN(C(=O)CCOc1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C24H32N2O2/c1-25-16-12-22(13-17-25)20-26(18-14-21-8-4-2-5-9-21)24(27)15-19-28-23-10-6-3-7-11-23/h2-11,22H,12-20H2,1H3
• InChIKey: JEZJLTZMNWQOMM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1-methylpiperidin-4-yl)methyl]-3-phenoxy-N-(2-phenylethyl)propanamide
• IUPAC传统名: N-[(1-methylpiperidin-4-yl)methyl]-3-phenoxy-N-(2-phenylethyl)propanamide
• 别名: N-[(1-methyl-4-piperidinyl)methyl]-3-phenoxy-N-(2-phenylethyl)propanamide

理论计算性质

JChem

• LogD (pH = 7.4): 2.1092439
• Log P: 3.6715214
• 摩尔折射率: 114.5575 cm^3
• 极化性: 44.730244 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.49469623

Provided by Chembridge

• Log P: 4.33
• LOG S: -3.75
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 9
• 质子受体: 3
• 质子供体: 0