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

• ChemBase ID: 559845
• Molecular Formular: C22H30N2O2
• Molecular Mass: 354.4858
• Monoisotopic Mass: 354.23072821
• SMILES: N1(C(=O)CC2(C1)CCN(CC1COCC1)CC2)C/C=C/c1ccccc1
• Canonical SMILES: O=C1CC2(CN1C/C=C/c1ccccc1)CCN(CC2)CC1COCC1
• InChI: InChI=1S/C22H30N2O2/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/h1-7,20H,8-18H2/b7-4+
• InChIKey: RKCPFPJZKVRRQH-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(oxolan-3-ylmethyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(oxolan-3-ylmethyl)-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-(tetrahydro-3-furanylmethyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4521958
• LogD (pH = 7.4): -0.37316635
• Log P: 1.9833078
• Molar Refractivity: 106.0741 cm^3
• Polarizability: 40.874203 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.68
• LOG S: -4.07
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5