N-(4-ethoxyphenyl)-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxamide

• ChemBase ID: 701081
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: C(=O)(N1CC2(N(CC1)C)CCC(=O)NCC2)Nc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)N1CCN(C2(C1)CCNC(=O)CC2)C
• InChI: InChI=1S/C19H28N4O3/c1-3-26-16-6-4-15(5-7-16)21-18(25)23-13-12-22(2)19(14-23)9-8-17(24)20-11-10-19/h4-7H,3,8-14H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: NLSRASHUCDDEHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.861404
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7784098
• LogD (pH = 7.4): -0.017377734
• Log P: 0.6633803
• Molar Refractivity: 101.3671 cm^3
• Polarizability: 38.56696 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.48
• LOG S: -2.24
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 3