5-({8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}methyl)-N-methylfuran-2-carboxamide

• ChemBase ID: 683279
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1oc(C(=O)NC)cc1)CCC2)C1CC1
• Canonical SMILES: CNC(=O)c1ccc(o1)CN1CCCC2(C1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C19H27N3O3/c1-20-18(24)16-6-5-15(25-16)11-21-10-2-8-19(12-21)9-7-17(23)22(13-19)14-3-4-14/h5-6,14H,2-4,7-13H2,1H3,(H,20,24)
• InChIKey: QWBJMGHHPHQNJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}methyl)-N-methylfuran-2-carboxamide
• IUPAC Traditional name: 5-({8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}methyl)-N-methylfuran-2-carboxamide
• Synonyms: 5-[(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)methyl]-N-methyl-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.807003
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7329665
• LogD (pH = 7.4): -0.019897418
• Log P: 0.47522205
• Molar Refractivity: 95.0635 cm^3
• Polarizability: 36.386242 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.35
• LOG S: -3.33
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4