N-ethyl-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxamide

• ChemBase ID: 766481
• Molecular Formular: C13H24N4O2
• Molecular Mass: 268.35526
• Monoisotopic Mass: 268.18992603
• SMILES: N1(C(=O)NCC)CC2(N(CC1)C)CCC(=O)NCC2
• Canonical SMILES: CCNC(=O)N1CCN(C2(C1)CCNC(=O)CC2)C
• InChI: InChI=1S/C13H24N4O2/c1-3-14-12(19)17-9-8-16(2)13(10-17)5-4-11(18)15-7-6-13/h3-10H2,1-2H3,(H,14,19)(H,15,18)
• InChIKey: HXHZRDYTJWPPRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxamide
• IUPAC Traditional name: N-ethyl-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxamide
• Synonyms: N-ethyl-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.704997
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.636622
• LogD (pH = 7.4): -1.8758116
• Log P: -1.1965169
• Molar Refractivity: 73.3455 cm^3
• Polarizability: 28.32371 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.48
• LOG S: -2.06
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 1