3-ethyl-1-(2-phenylethyl)-8-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 346091
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(C)C)CCc1ccccc1)CC
• Canonical SMILES: CCN1C(=O)N(C2(C1=O)CCN(CC2)C(C)C)CCc1ccccc1
• InChI: InChI=1S/C20H29N3O2/c1-4-22-18(24)20(11-14-21(15-12-20)16(2)3)23(19(22)25)13-10-17-8-6-5-7-9-17/h5-9,16H,4,10-15H2,1-3H3
• InChIKey: LPCOBWIYRJVTMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-(2-phenylethyl)-8-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-ethyl-8-isopropyl-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-ethyl-8-isopropyl-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.86769927
• LogD (pH = 7.4): 0.6576716
• Log P: 2.3954103
• Molar Refractivity: 99.614 cm^3
• Polarizability: 38.59477 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.33
• LOG S: -2.96
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3