N-(2,2-dimethyloxan-4-yl)-2-{1,3-dioxo-2-azaspiro[4.4]nonan-2-yl}acetamide

• ChemBase ID: 226649
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: N1(C(=O)C2(CC1=O)CCCC2)CC(=O)NC1CC(OCC1)(C)C
• Canonical SMILES: O=C(CN1C(=O)CC2(C1=O)CCCC2)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C17H26N2O4/c1-16(2)9-12(5-8-23-16)18-13(20)11-19-14(21)10-17(15(19)22)6-3-4-7-17/h12H,3-11H2,1-2H3,(H,18,20)
• InChIKey: ZUEGIJVTSORWCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-2-{1,3-dioxo-2-azaspiro[4.4]nonan-2-yl}acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-2-{1,3-dioxo-2-azaspiro[4.4]nonan-2-yl}acetamide

Database IDs

• PubChem SID: 164282559
• PubChem CID: 71753807

CALCULATED PROPERTIES

• Acid pKa: 15.313447
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.30767107
• LogD (pH = 7.4): 0.30767107
• Log P: 0.30767107
• Molar Refractivity: 83.9894 cm^3
• Polarizability: 33.094147 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds