N-(furan-2-ylmethyl)-N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}acetamide

• ChemBase编号: 194433
• 分子式: C24H33NO4
• 平均质量: 399.52312
• 单一同位素质量: 399.24095854
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)C)Cc1occc1
• Canonical SMILES: COc1ccccc1C1(CCOC(C1)C(C)C)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C24H33NO4/c1-18(2)23-16-24(12-15-29-23,21-9-5-6-10-22(21)27-4)11-13-25(19(3)26)17-20-8-7-14-28-20/h5-10,14,18,23H,11-13,15-17H2,1-4H3
• InChIKey: KPOYUKJSTNRRRV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-2-ylmethyl)-N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}acetamide
• IUPAC传统名: N-(furan-2-ylmethyl)-N-{2-[2-isopropyl-4-(2-methoxyphenyl)oxan-4-yl]ethyl}acetamide

登记号

• PubChem SID: 164250343
• PubChem CID: 4362145

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.570435
• LogD (pH = 7.4): 3.5704355
• Log P: 3.5704355
• 摩尔折射率: 113.682 cm^3
• 极化性: 44.410816 Å^3
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 8
• 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