8-(1-methylcyclopropanecarbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 445592
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C1(CC1)C)CC2)CCOc1ccccc1
• Canonical SMILES: O=C(C1(C)CC1)N1CCC2(CC1)CN(C(=O)O2)CCOc1ccccc1
• InChI: InChI=1S/C20H26N2O4/c1-19(7-8-19)17(23)21-11-9-20(10-12-21)15-22(18(24)26-20)13-14-25-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
• InChIKey: ROEOXGYTPSDIOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-methylcyclopropanecarbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(1-methylcyclopropanecarbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(1-methylcyclopropyl)carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0221586
• LogD (pH = 7.4): 2.0221593
• Log P: 2.0221593
• Molar Refractivity: 95.9782 cm^3
• Polarizability: 37.733875 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.79
• LOG S: -4.2
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5