8-methyl-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 474151
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)CC(C)C)CCCc1cnccc1
• Canonical SMILES: CC(CN1C(=O)N(C(=O)C21CCN(CC2)C)CCCc1cccnc1)C
• InChI: InChI=1S/C20H30N4O2/c1-16(2)15-24-19(26)23(11-5-7-17-6-4-10-21-14-17)18(25)20(24)8-12-22(3)13-9-20/h4,6,10,14,16H,5,7-9,11-13,15H2,1-3H3
• InChIKey: NVRSNOCUDMCUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-methyl-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-isobutyl-8-methyl-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3514723
• LogD (pH = 7.4): 0.45682764
• Log P: 1.7364187
• Molar Refractivity: 101.8863 cm^3
• Polarizability: 39.53877 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.3
• LOG S: -2.63
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 5