8-(furan-3-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 702063
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: N1(C(=O)CC2(C1)CCN(Cc1cocc1)CC2)CCCc1ccccc1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)Cc1cocc1
• InChI: InChI=1S/C22H28N2O2/c25-21-15-22(9-12-23(13-10-22)16-20-8-14-26-17-20)18-24(21)11-4-7-19-5-2-1-3-6-19/h1-3,5-6,8,14,17H,4,7,9-13,15-16,18H2
• InChIKey: AVBMUQCOOJYGMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(furan-3-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(furan-3-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3-furylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19376445
• LogD (pH = 7.4): 1.9623485
• Log P: 2.9525657
• Molar Refractivity: 103.6438 cm^3
• Polarizability: 40.16292 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.51
• LOG S: -4.77
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6