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

• ChemBase ID: 774271
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccccc1)CC)CCN(C)C
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccccc1)CCN(C)C
• InChI: InChI=1S/C20H30N4O2/c1-4-24-19(26)23(15-14-21(2)3)18(25)20(24)10-12-22(13-11-20)16-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3
• InChIKey: LWMVNPRPUSDVEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.6239986
• LogD (pH = 7.4): -1.1986516
• Log P: 1.3520105
• Molar Refractivity: 103.7107 cm^3
• Polarizability: 40.11971 Å^3
• Polar Surface Area: 47.1 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: 1.96
• LOG S: -1.29
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4