2-(5-phenylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 314473
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: C12(C(=O)NCCC2)CN(C(=O)CCCCc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2=O)CCCCc1ccccc1
• InChI: InChI=1S/C19H26N2O2/c22-17(10-5-4-9-16-7-2-1-3-8-16)21-14-12-19(15-21)11-6-13-20-18(19)23/h1-3,7-8H,4-6,9-15H2,(H,20,23)
• InChIKey: OUDXICCGPXSLQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-phenylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-phenylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-phenylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.555503
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3133423
• LogD (pH = 7.4): 2.3133426
• Log P: 2.3133426
• Molar Refractivity: 90.5004 cm^3
• Polarizability: 35.150322 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.82
• LOG S: -3.05
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5