2-(oxolan-2-ylmethyl)-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 583122
• Molecular Formular: C23H34N2O3
• Molecular Mass: 386.52766
• Monoisotopic Mass: 386.25694296
• SMILES: N1(C(=O)CCC2(C1)CCN(CC2)CCCOc1ccccc1)CC1OCCC1
• Canonical SMILES: O=C1CCC2(CN1CC1CCCO1)CCN(CC2)CCCOc1ccccc1
• InChI: InChI=1S/C23H34N2O3/c26-22-9-10-23(19-25(22)18-21-8-4-16-28-21)11-14-24(15-12-23)13-5-17-27-20-6-2-1-3-7-20/h1-3,6-7,21H,4-5,8-19H2
• InChIKey: BMFGKMIOWNXLMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-ylmethyl)-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(oxolan-2-ylmethyl)-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(3-phenoxypropyl)-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0707694
• LogD (pH = 7.4): 0.44811907
• Log P: 2.1973112
• Molar Refractivity: 110.8225 cm^3
• Polarizability: 43.552696 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.78
• LOG S: -4.39
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7