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

• ChemBase ID: 193937
• Molecular Formular: C19H33NO4
• Molecular Mass: 339.46962
• Monoisotopic Mass: 339.24095854
• SMILES: C12(C(C(=O)N(CCCC)CCCC)CC(=O)O1)CC(OCC2)(C)C
• Canonical SMILES: CCCCN(C(=O)C1CC(=O)OC21CCOC(C2)(C)C)CCCC
• InChI: InChI=1S/C19H33NO4/c1-5-7-10-20(11-8-6-2)17(22)15-13-16(21)24-19(15)9-12-23-18(3,4)14-19/h15H,5-14H2,1-4H3
• InChIKey: OJMDJGREWFCSIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249847
• PubChem CID: 4315062

CALCULATED PROPERTIES

• Acid pKa: 18.1136
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3985167
• LogD (pH = 7.4): 2.3985174
• Log P: 2.3985174
• Molar Refractivity: 93.1789 cm^3
• Polarizability: 36.944874 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds