N-methyl-2-(morpholin-3-yl)-N-[(4-phenoxyphenyl)methyl]acetamide

• ChemBase编号: 380737
• 分子式: C20H24N2O3
• 平均质量: 340.41616
• 单一同位素质量: 340.17869264
• SMILES: C(=O)(CC1NCCOC1)N(Cc1ccc(Oc2ccccc2)cc1)C
• Canonical SMILES: CN(C(=O)CC1NCCOC1)Cc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C20H24N2O3/c1-22(20(23)13-17-15-24-12-11-21-17)14-16-7-9-19(10-8-16)25-18-5-3-2-4-6-18/h2-10,17,21H,11-15H2,1H3
• InChIKey: ULHJFTHTHIGHHP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(morpholin-3-yl)-N-[(4-phenoxyphenyl)methyl]acetamide
• IUPAC传统名: N-methyl-2-(morpholin-3-yl)-N-[(4-phenoxyphenyl)methyl]acetamide
• 别名: N-methyl-2-(3-morpholinyl)-N-(4-phenoxybenzyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.060074124
• LogD (pH = 7.4): 1.6564393
• Log P: 2.228554
• 摩尔折射率: 96.6911 cm^3
• 极化性: 38.0829 Å^3
• 极化表面积: 50.8 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.92
• LOG S: -3.32
• 极化表面积: 50.8 Å^2
• 可自由旋转的化学键: 6