N-{2-[7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}acetamide

• ChemBase ID: 766975
• Molecular Formular: C19H31N3O3
• Molecular Mass: 349.46774
• Monoisotopic Mass: 349.23654187
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(C(=O)CNC(=O)C)CC1
• Canonical SMILES: CC(=O)NCC(=O)N1CCC2(C1)CCCN(C2=O)CC1CCCCC1
• InChI: InChI=1S/C19H31N3O3/c1-15(23)20-12-17(24)22-11-9-19(14-22)8-5-10-21(18(19)25)13-16-6-3-2-4-7-16/h16H,2-14H2,1H3,(H,20,23)
• InChIKey: PRXXNVZHNBPYPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}acetamide
• IUPAC Traditional name: N-{2-[7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}acetamide
• Synonyms: N-{2-[7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.006032
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.37797153
• LogD (pH = 7.4): 0.37797192
• Log P: 0.37797287
• Molar Refractivity: 95.4207 cm^3
• Polarizability: 37.189915 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.28
• LOG S: -2.09
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4