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

• ChemBase ID: 538924
• Molecular Formular: C18H32N4O2
• Molecular Mass: 336.47228
• Monoisotopic Mass: 336.25252628
• SMILES: N1(C(=O)NCC2CCCCC2)CC2(N(CC1)C)CCC(=O)NCC2
• Canonical SMILES: O=C1NCCC2(CC1)CN(CCN2C)C(=O)NCC1CCCCC1
• InChI: InChI=1S/C18H32N4O2/c1-21-11-12-22(14-18(21)8-7-16(23)19-10-9-18)17(24)20-13-15-5-3-2-4-6-15/h15H,2-14H2,1H3,(H,19,23)(H,20,24)
• InChIKey: UPYJQDYKAARBTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.489859
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8791467
• LogD (pH = 7.4): -0.11833622
• Log P: 0.56095845
• Molar Refractivity: 94.3419 cm^3
• Polarizability: 36.784527 Å^3
• Polar Surface Area: 64.68 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: 1.58
• LOG S: -3.0
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 2