1-{2-oxa-7-azaspiro[4.5]decan-7-yl}-3-phenoxypropan-1-one

• ChemBase ID: 320038
• Molecular Formular: C17H23NO3
• Molecular Mass: 289.36942
• Monoisotopic Mass: 289.1677936
• SMILES: N1(C(=O)CCOc2ccccc2)CC2(COCC2)CCC1
• Canonical SMILES: O=C(N1CCCC2(C1)COCC2)CCOc1ccccc1
• InChI: InChI=1S/C17H23NO3/c19-16(7-11-21-15-5-2-1-3-6-15)18-10-4-8-17(13-18)9-12-20-14-17/h1-3,5-6H,4,7-14H2
• InChIKey: JFICAKAEIHDISG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-oxa-7-azaspiro[4.5]decan-7-yl}-3-phenoxypropan-1-one
• IUPAC Traditional name: 1-{2-oxa-7-azaspiro[4.5]decan-7-yl}-3-phenoxypropan-1-one
• Synonyms: 7-(3-phenoxypropanoyl)-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6531422
• LogD (pH = 7.4): 1.6531423
• Log P: 1.6531423
• Molar Refractivity: 80.7268 cm^3
• Polarizability: 31.706247 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.13
• LOG S: -3.53
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4