1-(furan-2-yl)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethane-1,2-dione

• ChemBase ID: 511990
• Molecular Formular: C18H24N2O4
• Molecular Mass: 332.39416
• Monoisotopic Mass: 332.17360726
• SMILES: C(=O)(C(=O)N1CCC2(CN(C(=O)C2)CC(C)C)CC1)c1occc1
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)C(=O)C(=O)c1ccco1)C
• InChI: InChI=1S/C18H24N2O4/c1-13(2)11-20-12-18(10-15(20)21)5-7-19(8-6-18)17(23)16(22)14-4-3-9-24-14/h3-4,9,13H,5-8,10-12H2,1-2H3
• InChIKey: DKCWDNOISCHKMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethane-1,2-dione
• IUPAC Traditional name: 1-(furan-2-yl)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethane-1,2-dione
• Synonyms: 8-[2-furyl(oxo)acetyl]-2-isobutyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8754208
• LogD (pH = 7.4): 0.87542146
• Log P: 0.8754215
• Molar Refractivity: 88.5675 cm^3
• Polarizability: 34.041176 Å^3
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.54
• LOG S: -2.08
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 4