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

• ChemBase ID: 557303
• Molecular Formular: C18H33N3O3
• Molecular Mass: 339.47292
• Monoisotopic Mass: 339.25219193
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC(C)C)CCOC)CC(C)C
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)CC(C)C)CC(C)C
• InChI: InChI=1S/C18H33N3O3/c1-14(2)12-19-8-6-18(7-9-19)16(22)20(13-15(3)4)17(23)21(18)10-11-24-5/h14-15H,6-13H2,1-5H3
• InChIKey: SNOBAGQXYVCOKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6929982
• LogD (pH = 7.4): -0.41275433
• Log P: 1.6937158
• Molar Refractivity: 94.8623 cm^3
• Polarizability: 37.071556 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.06
• LOG S: -1.98
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4