1-ethyl-4,6-dimethyl-3-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-1,2-dihydropyridin-2-one

• ChemBase ID: 443222
• Molecular Formular: C18H26N2O3
• Molecular Mass: 318.41064
• Monoisotopic Mass: 318.1943427
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)N1CCC2(OCCC2)CC1
• Canonical SMILES: CCn1c(C)cc(c(c1=O)C(=O)N1CCC2(CC1)CCCO2)C
• InChI: InChI=1S/C18H26N2O3/c1-4-20-14(3)12-13(2)15(17(20)22)16(21)19-9-7-18(8-10-19)6-5-11-23-18/h12H,4-11H2,1-3H3
• InChIKey: GKMLPANGUULCPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4,6-dimethyl-3-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-ethyl-4,6-dimethyl-3-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}pyridin-2-one
• Synonyms: 1-ethyl-4,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5611839
• LogD (pH = 7.4): 0.56118476
• Log P: 0.56118476
• Molar Refractivity: 91.3877 cm^3
• Polarizability: 34.331398 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.2
• LOG S: -2.55
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 2