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

• ChemBase ID: 494764
• Molecular Formular: C19H26N2O4
• Molecular Mass: 346.42074
• Monoisotopic Mass: 346.18925732
• SMILES: C1(=O)N(CC2(O1)CCN(CC2)C1CCOC1)CCOc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCOc1ccccc1)CCN(CC2)C1COCC1
• InChI: InChI=1S/C19H26N2O4/c22-18-21(11-13-24-17-4-2-1-3-5-17)15-19(25-18)7-9-20(10-8-19)16-6-12-23-14-16/h1-5,16H,6-15H2
• InChIKey: KFPCZQOISADMTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.351548
• LogD (pH = 7.4): 0.4205312
• Log P: 1.3606808
• Molar Refractivity: 93.4169 cm^3
• Polarizability: 36.89409 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.04
• LOG S: -3.31
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 5