N-{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]propanamide

• ChemBase编号: 194578
• 分子式: C28H39NO4
• 平均质量: 453.61356
• 单一同位素质量: 453.28790873
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)CC)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC1(CCOC(C1)C(C)C)c1ccccc1OC
• InChI: InChI=1S/C28H39NO4/c1-6-27(30)29(20-22-11-13-23(31-4)14-12-22)17-15-28(16-18-33-26(19-28)21(2)3)24-9-7-8-10-25(24)32-5/h7-14,21,26H,6,15-20H2,1-5H3
• InChIKey: LGWPJNZZBJLUFL-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164250488
• PubChem CID: 4437184

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.053053
• LogD (pH = 7.4): 5.0530534
• Log P: 5.0530534
• 摩尔折射率: 132.3812 cm^3
• 极化性: 51.911205 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds