8-benzoyl-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 683569
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1ccccc1)CC2)CCCCCC
• Canonical SMILES: CCCCCCN1CC2(OC1=O)CCN(CC2)C(=O)c1ccccc1
• InChI: InChI=1S/C20H28N2O3/c1-2-3-4-8-13-22-16-20(25-19(22)24)11-14-21(15-12-20)18(23)17-9-6-5-7-10-17/h5-7,9-10H,2-4,8,11-16H2,1H3
• InChIKey: JQXUBGAGXSCOLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzoyl-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-benzoyl-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-benzoyl-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1095097
• LogD (pH = 7.4): 3.10951
• Log P: 3.10951
• Molar Refractivity: 97.2719 cm^3
• Polarizability: 37.547337 Å^3
• Polar Surface Area: 49.85 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: 3.33
• LOG S: -4.55
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6