N-cyclopropyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide

• ChemBase编号: 671741
• 分子式: C20H27N3O4
• 平均质量: 373.44608
• 单一同位素质量: 373.20015636
• SMILES: C1(=O)N(CC2(O1)CCN(CC(=O)NC1CC1)CC2)CCOc1ccccc1
• Canonical SMILES: O=C(CN1CCC2(CC1)CN(C(=O)O2)CCOc1ccccc1)NC1CC1
• InChI: InChI=1S/C20H27N3O4/c24-18(21-16-6-7-16)14-22-10-8-20(9-11-22)15-23(19(25)27-20)12-13-26-17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,21,24)
• InChIKey: FXJCLZNMAKGANN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
• IUPAC传统名: N-cyclopropyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
• 别名: N-cyclopropyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]dec-8-yl]acetamide

理论计算性质

JChem

• Acid pKa: 15.227682
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.9039685
• LogD (pH = 7.4): 0.5984498
• Log P: 0.81973577
• 摩尔折射率: 99.8215 cm^3
• 极化性: 39.263092 Å^3
• 极化表面积: 71.11 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 2.23
• LOG S: -3.83
• 极化表面积: 71.11 Å^2
• 可自由旋转的化学键: 7