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

• ChemBase编号: 630157
• 分子式: C23H30N2O3
• 平均质量: 382.4959
• 单一同位素质量: 382.22564283
• SMILES: C(=O)(N(Cc1c(OC)cccc1)Cc1ccc(cc1)CC)CC1NCCOC1
• Canonical SMILES: COc1ccccc1CN(C(=O)CC1COCCN1)Cc1ccc(cc1)CC
• InChI: InChI=1S/C23H30N2O3/c1-3-18-8-10-19(11-9-18)15-25(16-20-6-4-5-7-22(20)27-2)23(26)14-21-17-28-13-12-24-21/h4-11,21,24H,3,12-17H2,1-2H3
• InChIKey: OGYWOORDAXYQGR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-ethylphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-(morpholin-3-yl)acetamide
• IUPAC传统名: N-[(4-ethylphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-(morpholin-3-yl)acetamide
• 别名: N-(4-ethylbenzyl)-N-(2-methoxybenzyl)-2-(3-morpholinyl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.96444446
• LogD (pH = 7.4): 2.6809554
• Log P: 3.2530587
• 摩尔折射率: 111.1683 cm^3
• 极化性: 43.474167 Å^3
• 极化表面积: 50.8 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 2.56
• LOG S: -4.17
• 极化表面积: 50.8 Å^2
• 可自由旋转的化学键: 8