1-{5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-[(2-methoxyethyl)(methyl)amino]ethan-1-one

• ChemBase ID: 751432
• Molecular Formular: C15H28N2O4
• Molecular Mass: 300.39382
• Monoisotopic Mass: 300.20490739
• SMILES: N1(C(=O)CN(CCOC)C)CCC2(CC1)OCCCC2O
• Canonical SMILES: COCCN(CC(=O)N1CCC2(CC1)OCCCC2O)C
• InChI: InChI=1S/C15H28N2O4/c1-16(9-11-20-2)12-14(19)17-7-5-15(6-8-17)13(18)4-3-10-21-15/h13,18H,3-12H2,1-2H3
• InChIKey: GVQUVIUPWDNMPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-[(2-methoxyethyl)(methyl)amino]ethan-1-one
• IUPAC Traditional name: 1-{5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-[(2-methoxyethyl)(methyl)amino]ethanone
• Synonyms: 9-[N-(2-methoxyethyl)-N-methylglycyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.986242
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7896588
• LogD (pH = 7.4): -1.2943442
• Log P: -1.0779959
• Molar Refractivity: 80.6004 cm^3
• Polarizability: 31.674765 Å^3
• Polar Surface Area: 62.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.63
• LOG S: -2.16
• Polar Surface Area: 62.24 Å^2
• Rotatable Bonds: 5