N-(2-methyl-1-benzofuran-7-yl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

• ChemBase ID: 788645
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(N1CC2(CCC1)CCOCC2)Nc1c2oc(cc2ccc1)C
• Canonical SMILES: O=C(N1CCCC2(C1)CCOCC2)Nc1cccc2c1oc(c2)C
• InChI: InChI=1S/C19H24N2O3/c1-14-12-15-4-2-5-16(17(15)24-14)20-18(22)21-9-3-6-19(13-21)7-10-23-11-8-19/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,22)
• InChIKey: FIARWXUOPFJDEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methyl-1-benzofuran-7-yl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
• IUPAC Traditional name: N-(2-methyl-1-benzofuran-7-yl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
• Synonyms: N-(2-methyl-1-benzofuran-7-yl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.470182
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4542706
• LogD (pH = 7.4): 2.4542358
• Log P: 2.454271
• Molar Refractivity: 93.9429 cm^3
• Polarizability: 36.45099 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.74
• LOG S: -3.94
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 1