N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(3-phenylpiperidin-1-yl)acetamide

• ChemBase编号: 431429
• 分子式: C23H30N2O2
• 平均质量: 366.4965
• 单一同位素质量: 366.23072821
• SMILES: C(=O)(CN1CC(c2ccccc2)CCC1)N(CCOc1ccc(cc1)C)C
• Canonical SMILES: Cc1ccc(cc1)OCCN(C(=O)CN1CCCC(C1)c1ccccc1)C
• InChI: InChI=1S/C23H30N2O2/c1-19-10-12-22(13-11-19)27-16-15-24(2)23(26)18-25-14-6-9-21(17-25)20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,6,9,14-18H2,1-2H3
• InChIKey: PQESOLHXLUFJQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(3-phenylpiperidin-1-yl)acetamide
• IUPAC传统名: N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(3-phenylpiperidin-1-yl)acetamide
• 别名: N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(3-phenyl-1-piperidinyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.4557638
• LogD (pH = 7.4): 3.2038329
• Log P: 3.8151762
• 摩尔折射率: 109.9903 cm^3
• 极化性: 42.726135 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 4.41
• LOG S: -5.64
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7