N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-(2-methyl-5-oxopyrrolidin-1-yl)acetamide

• ChemBase编号: 336015
• 分子式: C18H26N2O4
• 平均质量: 334.41004
• 单一同位素质量: 334.18925732
• SMILES: N1(CC(=O)N(Cc2cc(OC)ccc2)CCOC)C(=O)CCC1C
• Canonical SMILES: COCCN(C(=O)CN1C(C)CCC1=O)Cc1cccc(c1)OC
• InChI: InChI=1S/C18H26N2O4/c1-14-7-8-17(21)20(14)13-18(22)19(9-10-23-2)12-15-5-4-6-16(11-15)24-3/h4-6,11,14H,7-10,12-13H2,1-3H3
• InChIKey: GMAWYVGCQHBSOW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-(2-methyl-5-oxopyrrolidin-1-yl)acetamide
• IUPAC传统名: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-(2-methyl-5-oxopyrrolidin-1-yl)acetamide
• 别名: N-(3-methoxybenzyl)-N-(2-methoxyethyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)acetamide

理论计算性质

JChem

• Acid pKa: 19.397633
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.69886094
• LogD (pH = 7.4): 0.69886094
• Log P: 0.69886094
• 摩尔折射率: 91.3929 cm^3
• 极化性: 35.498512 Å^3
• 极化表面积: 59.08 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: 0
• Log P: 1.38
• LOG S: -2.82
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 8