3-(furan-2-yl)-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-phenylpropan-1-one

• ChemBase ID: 567967
• Molecular Formular: C21H25NO3
• Molecular Mass: 339.4281
• Monoisotopic Mass: 339.18344367
• SMILES: C(=O)(N1CCC2(OCCC2)CC1)CC(c1occc1)c1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCCO2)CC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C21H25NO3/c23-20(22-12-10-21(11-13-22)9-5-15-25-21)16-18(19-8-4-14-24-19)17-6-2-1-3-7-17/h1-4,6-8,14,18H,5,9-13,15-16H2
• InChIKey: LBKRJQCCGNNCDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-phenylpropan-1-one
• IUPAC Traditional name: 3-(furan-2-yl)-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-phenylpropan-1-one
• Synonyms: 8-[3-(2-furyl)-3-phenylpropanoyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3898404
• LogD (pH = 7.4): 2.3898406
• Log P: 2.3898406
• Molar Refractivity: 96.5998 cm^3
• Polarizability: 37.481674 Å^3
• Polar Surface Area: 42.68 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: 3.37
• LOG S: -4.55
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 4