propan-2-yl 8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate

• ChemBase ID: 584729
• Molecular Formular: C18H32N2O3
• Molecular Mass: 324.45828
• Monoisotopic Mass: 324.24129289
• SMILES: C(=O)(N1CC2(CN(C(=O)CC2)CCC(C)C)CCC1)OC(C)C
• Canonical SMILES: CC(CCN1CC2(CCCN(C2)C(=O)OC(C)C)CCC1=O)C
• InChI: InChI=1S/C18H32N2O3/c1-14(2)7-11-19-12-18(9-6-16(19)21)8-5-10-20(13-18)17(22)23-15(3)4/h14-15H,5-13H2,1-4H3
• InChIKey: HSFZFXHPYAFEJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
• IUPAC Traditional name: isopropyl 8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
• Synonyms: isopropyl 8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4611065
• LogD (pH = 7.4): 2.4611068
• Log P: 2.4611068
• Molar Refractivity: 90.4806 cm^3
• Polarizability: 35.542763 Å^3
• Polar Surface Area: 49.85 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: 2.98
• LOG S: -4.11
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5