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

• ChemBase ID: 759085
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(C)C)CCC(C)C)CC(C)C
• Canonical SMILES: CC(CCN1C(=O)N(C(=O)C21CCN(CC2)C(C)C)CC(C)C)C
• InChI: InChI=1S/C19H35N3O2/c1-14(2)7-10-22-18(24)21(13-15(3)4)17(23)19(22)8-11-20(12-9-19)16(5)6/h14-16H,7-13H2,1-6H3
• InChIKey: UYZHPFVYCHHSGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3824203
• LogD (pH = 7.4): 1.1429504
• Log P: 2.8806891
• Molar Refractivity: 97.6642 cm^3
• Polarizability: 38.208748 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.15
• LOG S: -3.01
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3