N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 750563
• 分子式: C21H24N2O4
• 平均质量: 368.42626
• 单一同位素质量: 368.17360726
• SMILES: C1(=O)N(CC(=O)N(Cc2cc(ccc2)C)Cc2ccc(cc2)OC)CCO1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CN1CCOC1=O)Cc1cccc(c1)C
• InChI: InChI=1S/C21H24N2O4/c1-16-4-3-5-18(12-16)14-23(13-17-6-8-19(26-2)9-7-17)20(24)15-22-10-11-27-21(22)25/h3-9,12H,10-11,13-15H2,1-2H3
• InChIKey: NVTFPRPSZIXMNC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-(4-methoxybenzyl)-N-(3-methylbenzyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.294245
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7879193
• LogD (pH = 7.4): 2.7879193
• Log P: 2.7879193
• 摩尔折射率: 102.3437 cm^3
• 极化性: 39.47532 Å^3
• 极化表面积: 59.08 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: 4
• 质子供体: 0
• Log P: 3.33
• LOG S: -4.73
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7