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

• ChemBase ID: 601552
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: C1(=O)N(CC2(O1)CCN(CC1COCC1)CC2)CCOc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCOc1ccccc1)CCN(CC2)CC1COCC1
• InChI: InChI=1S/C20H28N2O4/c23-19-22(11-13-25-18-4-2-1-3-5-18)16-20(26-19)7-9-21(10-8-20)14-17-6-12-24-15-17/h1-5,17H,6-16H2
• InChIKey: MSXYQRDXKDUNGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(oxolan-3-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(oxolan-3-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-(2-phenoxyethyl)-8-(tetrahydrofuran-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8792722
• LogD (pH = 7.4): -0.5193489
• Log P: 1.4782294
• Molar Refractivity: 98.4005 cm^3
• Polarizability: 38.731667 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.48
• LOG S: -2.94
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 6