8-(2,5-dimethylfuran-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 838546
• Molecular Formular: C19H28N2O4
• Molecular Mass: 348.43662
• Monoisotopic Mass: 348.20490739
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)C3)CCCOC)CC2)c(oc(c1)C)C
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1cc(oc1C)C
• InChI: InChI=1S/C19H28N2O4/c1-14-11-16(15(2)25-14)18(23)20-8-5-19(6-9-20)12-17(22)21(13-19)7-4-10-24-3/h11H,4-10,12-13H2,1-3H3
• InChIKey: KWYCHEVVZJANHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,5-dimethylfuran-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2,5-dimethylfuran-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2,5-dimethyl-3-furoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.26356483
• LogD (pH = 7.4): 0.2635653
• Log P: 0.2635653
• Molar Refractivity: 96.2126 cm^3
• Polarizability: 36.149063 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.36
• LOG S: -2.9
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 5