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

• ChemBase ID: 325023
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: N1=C(NC(=O)C21CCN(C(=O)NCC)CC2)c1ccccc1
• Canonical SMILES: CCNC(=O)N1CCC2(CC1)N=C(NC2=O)c1ccccc1
• InChI: InChI=1S/C16H20N4O2/c1-2-17-15(22)20-10-8-16(9-11-20)14(21)18-13(19-16)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,22)(H,18,19,21)
• InChIKey: AHDAVUOEYUTQHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.0142145
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.47294933
• LogD (pH = 7.4): 0.47887015
• Log P: 0.47894713
• Molar Refractivity: 83.1811 cm^3
• Polarizability: 31.568933 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: -0.75
• LOG S: -2.06
• Polar Surface Area: 73.8 Å^2
• Rotatable Bonds: 2