8-[2-(oxolan-3-yl)ethyl]-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 561150
• Molecular Formular: C23H32N2O2
• Molecular Mass: 368.51238
• Monoisotopic Mass: 368.24637827
• SMILES: N1(C(=O)CC2(C1)CCN(CCC1COCC1)CC2)C/C=C/c1ccccc1
• Canonical SMILES: O=C1CC2(CN1C/C=C/c1ccccc1)CCN(CC2)CCC1COCC1
• InChI: InChI=1S/C23H32N2O2/c26-22-17-23(19-25(22)12-4-7-20-5-2-1-3-6-20)10-14-24(15-11-23)13-8-21-9-16-27-18-21/h1-7,21H,8-19H2/b7-4+
• InChIKey: ZYSLJQXENOHKGR-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(oxolan-3-yl)ethyl]-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[2-(oxolan-3-yl)ethyl]-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-[(2E)-3-phenyl-2-propen-1-yl]-8-[2-(tetrahydro-3-furanyl)ethyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0421278
• LogD (pH = 7.4): 0.07420438
• Log P: 2.3863199
• Molar Refractivity: 110.7739 cm^3
• Polarizability: 42.71844 Å^3
• Polar Surface Area: 32.78 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: 2.91
• LOG S: -4.37
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6