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

• ChemBase ID: 362813
• Molecular Formular: C21H31N3O4
• Molecular Mass: 389.48854
• Monoisotopic Mass: 389.23145649
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(cc(cc1)OC)OC)CC2)CC(C)C)C
• Canonical SMILES: COc1cc(OC)ccc1CN1CCC2(CC1)N(CC(C)C)C(=O)N(C2=O)C
• InChI: InChI=1S/C21H31N3O4/c1-15(2)13-24-20(26)22(3)19(25)21(24)8-10-23(11-9-21)14-16-6-7-17(27-4)12-18(16)28-5/h6-7,12,15H,8-11,13-14H2,1-5H3
• InChIKey: ZGHFWQQSMAKJCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.59404993
• LogD (pH = 7.4): 1.1734874
• Log P: 1.9055187
• Molar Refractivity: 107.6136 cm^3
• Polarizability: 41.800762 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.29
• LOG S: -2.25
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 3