1-methoxy-8-(5-phenoxyfuran-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 328101
• Molecular Formular: C20H22N2O5
• Molecular Mass: 370.39908
• Monoisotopic Mass: 370.15287181
• SMILES: c1(C(=O)N2CCC3(N(C(=O)CC3)OC)CC2)oc(cc1)Oc1ccccc1
• Canonical SMILES: CON1C(=O)CCC21CCN(CC2)C(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C20H22N2O5/c1-25-22-17(23)9-10-20(22)11-13-21(14-12-20)19(24)16-7-8-18(27-16)26-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3
• InChIKey: NEKFTXIABPSLMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-8-(5-phenoxyfuran-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-methoxy-8-(5-phenoxyfuran-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-methoxy-8-(5-phenoxy-2-furoyl)-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4766382
• LogD (pH = 7.4): 1.4766382
• Log P: 1.4766382
• Molar Refractivity: 96.6722 cm^3
• Polarizability: 37.43873 Å^3
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.18
• LOG S: -3.76
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 4