phenyl N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)carbamate

• ChemBase编号: 221311
• 分子式: C19H23NO4
• 平均质量: 329.39022
• 单一同位素质量: 329.16270822
• SMILES: C(=O)(N(C1CC(OCC1)(C)C)Cc1occc1)Oc1ccccc1
• Canonical SMILES: O=C(N(C1CCOC(C1)(C)C)Cc1ccco1)Oc1ccccc1
• InChI: InChI=1S/C19H23NO4/c1-19(2)13-15(10-12-23-19)20(14-17-9-6-11-22-17)18(21)24-16-7-4-3-5-8-16/h3-9,11,15H,10,12-14H2,1-2H3
• InChIKey: ASGSARYRWXVQDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: phenyl N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)carbamate
• IUPAC传统名: phenyl N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)carbamate

登记号

• PubChem SID: 164277221
• PubChem CID: 42648773

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1373708
• LogD (pH = 7.4): 3.1373708
• Log P: 3.1373708
• 摩尔折射率: 90.1965 cm^3
• 极化性: 35.208046 Å^3
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds