N-ethyl-7,7-dimethyl-2-oxo-N-phenyl-1,8-dioxaspiro[4.5]decane-4-carboxamide

• ChemBase ID: 194629
• Molecular Formular: C19H25NO4
• Molecular Mass: 331.4061
• Monoisotopic Mass: 331.17835829
• SMILES: C1(C2(OC(=O)C1)CC(OCC2)(C)C)C(=O)N(c1ccccc1)CC
• Canonical SMILES: CCN(C(=O)C1CC(=O)OC21CCOC(C2)(C)C)c1ccccc1
• InChI: InChI=1S/C19H25NO4/c1-4-20(14-8-6-5-7-9-14)17(22)15-12-16(21)24-19(15)10-11-23-18(2,3)13-19/h5-9,15H,4,10-13H2,1-3H3
• InChIKey: DTYANKZKMZCOQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-7,7-dimethyl-2-oxo-N-phenyl-1,8-dioxaspiro[4.5]decane-4-carboxamide
• IUPAC Traditional name: N-ethyl-7,7-dimethyl-2-oxo-N-phenyl-1,8-dioxaspiro[4.5]decane-4-carboxamide

Database IDs

• PubChem SID: 164250539
• PubChem CID: 2928414

CALCULATED PROPERTIES

• Acid pKa: 14.541754
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7654856
• LogD (pH = 7.4): 1.7654856
• Log P: 1.7654856
• Molar Refractivity: 89.9579 cm^3
• Polarizability: 35.474747 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds