2-(3-methylbutyl)-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 555389
• Molecular Formular: C19H34N2O3
• Molecular Mass: 338.48486
• Monoisotopic Mass: 338.25694296
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)COCCC)CCC2)CCC(C)C
• Canonical SMILES: CCCOCC(=O)N1CCCC2(C1)CCC(=O)N(C2)CCC(C)C
• InChI: InChI=1S/C19H34N2O3/c1-4-12-24-13-18(23)20-10-5-8-19(14-20)9-6-17(22)21(15-19)11-7-16(2)3/h16H,4-15H2,1-3H3
• InChIKey: UPTKEOPCICUPOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutyl)-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(3-methylbutyl)-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(3-methylbutyl)-8-(propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.818457
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7736412
• LogD (pH = 7.4): 1.7736415
• Log P: 1.7736415
• Molar Refractivity: 95.4156 cm^3
• Polarizability: 37.381138 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.9
• LOG S: -4.14
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7