2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

• ChemBase ID: 416279
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: C1(=NC2(C(=O)N1)CCN(C(=O)NCC)CC2)C1CC1
• Canonical SMILES: CCNC(=O)N1CCC2(CC1)N=C(NC2=O)C1CC1
• InChI: InChI=1S/C13H20N4O2/c1-2-14-12(19)17-7-5-13(6-8-17)11(18)15-10(16-13)9-3-4-9/h9H,2-8H2,1H3,(H,14,19)(H,15,16,18)
• InChIKey: NHEVGVCDKHVRSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
• IUPAC Traditional name: 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
• Synonyms: 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.1809435
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6061228
• LogD (pH = 7.4): -0.595568
• Log P: -0.5954311
• Molar Refractivity: 69.9098 cm^3
• Polarizability: 26.82299 Å^3
• Polar Surface Area: 73.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -2.39
• LOG S: -0.39
• Polar Surface Area: 73.8 Å^2
• Rotatable Bonds: 2