8-(1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 340267
• Molecular Formular: C22H25N3O5
• Molecular Mass: 411.451
• Monoisotopic Mass: 411.17942092
• SMILES: c1(c(=O)n(ccc1)C)C(=O)N1CCC2(OC(=O)N(C2)CCOc2ccccc2)CC1
• Canonical SMILES: O=C1OC2(CN1CCOc1ccccc1)CCN(CC2)C(=O)c1cccn(c1=O)C
• InChI: InChI=1S/C22H25N3O5/c1-23-11-5-8-18(19(23)26)20(27)24-12-9-22(10-13-24)16-25(21(28)30-22)14-15-29-17-6-3-2-4-7-17/h2-8,11H,9-10,12-16H2,1H3
• InChIKey: CXGGGRMBOVQOQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(1-methyl-2-oxopyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.737475
• LogD (pH = 7.4): 0.7374755
• Log P: 0.7374756
• Molar Refractivity: 110.4506 cm^3
• Polarizability: 42.16697 Å^3
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.03
• LOG S: -3.08
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 5