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

• ChemBase编号: 608489
• 分子式: C15H16N2O5
• 平均质量: 304.29794
• 单一同位素质量: 304.10592162
• SMILES: C1(=O)N(CC(=O)N(Cc2occc2)Cc2occc2)CCO1
• Canonical SMILES: O=C(N(Cc1ccco1)Cc1ccco1)CN1CCOC1=O
• InChI: InChI=1S/C15H16N2O5/c18-14(11-16-5-8-22-15(16)19)17(9-12-3-1-6-20-12)10-13-4-2-7-21-13/h1-4,6-7H,5,8-11H2
• InChIKey: RVQAYDOOIJECTE-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 18.252892
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.5526623
• LogD (pH = 7.4): 0.5526624
• Log P: 0.5526624
• 摩尔折射率: 75.6211 cm^3
• 极化性: 29.044952 Å^3
• 极化表面积: 76.13 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: 5
• 质子供体: 0
• Log P: 0.98
• LOG S: -2.26
• 极化表面积: 76.13 Å^2
• 可自由旋转的化学键: 6