3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

• ChemBase编号: 629970
• 分子式: C23H24N2O2
• 平均质量: 360.44886
• 单一同位素质量: 360.18377802
• SMILES: C(=O)(CC(c1ccc(cc1)OC)c1ccccc1)N(Cc1ncccc1)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CC(=O)N(Cc1ccccn1)C
• InChI: InChI=1S/C23H24N2O2/c1-25(17-20-10-6-7-15-24-20)23(26)16-22(18-8-4-3-5-9-18)19-11-13-21(27-2)14-12-19/h3-15,22H,16-17H2,1-2H3
• InChIKey: YGLLYVLIZRRHTE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
• IUPAC传统名: 3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
• 别名: 3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyridinylmethyl)propanamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.5296972
• LogD (pH = 7.4): 3.547169
• Log P: 3.5473967
• 摩尔折射率: 106.6225 cm^3
• 极化性: 41.56609 Å^3
• 极化表面积: 42.43 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: 2.92
• LOG S: -4.3
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 6