1-(morpholin-4-yl)-2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}ethane-1,2-dione

• ChemBase ID: 673280
• Molecular Formular: C15H24N2O4
• Molecular Mass: 296.36206
• Monoisotopic Mass: 296.17360726
• SMILES: C(=O)(C(=O)N1CCOCC1)N1CCC2(CC1)CCOCC2
• Canonical SMILES: O=C(C(=O)N1CCC2(CC1)CCOCC2)N1CCOCC1
• InChI: InChI=1S/C15H24N2O4/c18-13(14(19)17-7-11-21-12-8-17)16-5-1-15(2-6-16)3-9-20-10-4-15/h1-12H2
• InChIKey: KURFDWJWWXWWMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}ethane-1,2-dione
• IUPAC Traditional name: 1-(morpholin-4-yl)-2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}ethane-1,2-dione
• Synonyms: 9-[morpholin-4-yl(oxo)acetyl]-3-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.586517
• LogD (pH = 7.4): -0.586517
• Log P: -0.586517
• Molar Refractivity: 77.4593 cm^3
• Polarizability: 30.04329 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.79
• LOG S: -1.14
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 1