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

• ChemBase ID: 848591
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccccc1)CCOC)C
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccccc1)C
• InChI: InChI=1S/C18H25N3O3/c1-19-16(22)18(21(17(19)23)12-13-24-2)8-10-20(11-9-18)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3
• InChIKey: KRJGOKDVXCCMIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-benzyl-1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-benzyl-1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1526217
• LogD (pH = 7.4): -0.47449124
• Log P: 0.92958254
• Molar Refractivity: 91.9865 cm^3
• Polarizability: 35.611233 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.1
• LOG S: -1.52
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4