N-[4-(furan-2-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

• ChemBase ID: 318986
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)Nc1ccc(c3occc3)cc1)CCC2)C
• Canonical SMILES: CN1CC2(OC1=O)CCCN(CC2)C(=O)Nc1ccc(cc1)c1ccco1
• InChI: InChI=1S/C20H23N3O4/c1-22-14-20(27-19(22)25)9-3-11-23(12-10-20)18(24)21-16-7-5-15(6-8-16)17-4-2-13-26-17/h2,4-8,13H,3,9-12,14H2,1H3,(H,21,24)
• InChIKey: UGCQFDJTFFTVTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• IUPAC Traditional name: N-[4-(furan-2-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• Synonyms: N-[4-(2-furyl)phenyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.050637
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1748328
• LogD (pH = 7.4): 2.1748319
• Log P: 2.1748328
• Molar Refractivity: 100.8293 cm^3
• Polarizability: 39.339386 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.62
• LOG S: -4.13
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 2