2-ethyl-8-(5-methyl-2-phenylfuran-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 350906
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: c1(c(oc(c1)C)c1ccccc1)C(=O)N1CCC2(CN(C(=O)C2)CC)CC1
• Canonical SMILES: CCN1CC2(CC1=O)CCN(CC2)C(=O)c1cc(oc1c1ccccc1)C
• InChI: InChI=1S/C22H26N2O3/c1-3-23-15-22(14-19(23)25)9-11-24(12-10-22)21(26)18-13-16(2)27-20(18)17-7-5-4-6-8-17/h4-8,13H,3,9-12,14-15H2,1-2H3
• InChIKey: QPRVGMUJIDQBSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-8-(5-methyl-2-phenylfuran-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-ethyl-8-(5-methyl-2-phenylfuran-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-ethyl-8-(5-methyl-2-phenyl-3-furoyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9750539
• LogD (pH = 7.4): 1.9750541
• Log P: 1.9750541
• Molar Refractivity: 104.9163 cm^3
• Polarizability: 40.913635 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.81
• LOG S: -4.27
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3