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

• ChemBase编号: 222358
• 分子式: C23H31NO4
• 平均质量: 385.49654
• 单一同位素质量: 385.22530848
• SMILES: C1(c2ccc(cc2)OC)(CC(OCC1)(C)C)CCN(C(=O)C)Cc1occc1
• Canonical SMILES: COc1ccc(cc1)C1(CCOC(C1)(C)C)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C23H31NO4/c1-18(25)24(16-21-6-5-14-27-21)13-11-23(12-15-28-22(2,3)17-23)19-7-9-20(26-4)10-8-19/h5-10,14H,11-13,15-17H2,1-4H3
• InChIKey: ZCAXDZYYPZXIJY-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164278268
• PubChem CID: 42649001

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.9635165
• LogD (pH = 7.4): 2.963517
• Log P: 2.963517
• 摩尔折射率: 109.3246 cm^3
• 极化性: 42.569668 Å^3
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 7
• 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