N-(furan-2-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenylethyl)acetamide

• ChemBase编号: 660515
• 分子式: C18H20N2O4
• 平均质量: 328.3624
• 单一同位素质量: 328.14230713
• SMILES: C1(=O)N(CC(=O)N(Cc2occc2)CCc2ccccc2)CCO1
• Canonical SMILES: O=C(N(Cc1ccco1)CCc1ccccc1)CN1CCOC1=O
• InChI: InChI=1S/C18H20N2O4/c21-17(14-20-10-12-24-18(20)22)19(13-16-7-4-11-23-16)9-8-15-5-2-1-3-6-15/h1-7,11H,8-10,12-14H2
• InChIKey: LFJFMRNAECLACP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-2-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenylethyl)acetamide
• IUPAC传统名: N-(furan-2-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenylethyl)acetamide
• 别名: N-(2-furylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenylethyl)acetamide

理论计算性质

JChem

• Acid pKa: 18.317577
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.7810769
• LogD (pH = 7.4): 1.7810769
• Log P: 1.7810769
• 摩尔折射率: 87.9852 cm^3
• 极化性: 33.924362 Å^3
• 极化表面积: 62.99 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: 2.21
• LOG S: -3.48
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 7