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

• ChemBase ID: 546984
• Molecular Formular: C23H32N2O2
• Molecular Mass: 368.51238
• Monoisotopic Mass: 368.24637827
• SMILES: N1(C(=O)CC2(C1)CCN(CC1OCCCC1)CC2)C/C=C/c1ccccc1
• Canonical SMILES: O=C1CC2(CN1C/C=C/c1ccccc1)CCN(CC2)CC1CCCCO1
• InChI: InChI=1S/C23H32N2O2/c26-22-17-23(19-25(22)13-6-9-20-7-2-1-3-8-20)11-14-24(15-12-23)18-21-10-4-5-16-27-21/h1-3,6-9,21H,4-5,10-19H2/b9-6+
• InChIKey: WGXKOPMATHQHHY-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.382418
• LogD (pH = 7.4): 1.2022568
• Log P: 2.8276906
• Molar Refractivity: 110.3361 cm^3
• Polarizability: 42.71844 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: 3.25
• LOG S: -4.66
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5