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

• ChemBase ID: 219588
• Molecular Formular: C17H27NO4
• Molecular Mass: 309.40058
• Monoisotopic Mass: 309.19400835
• SMILES: C12(C(C(=O)NC3CCCCC3)CC(=O)O1)CC(OCC2)(C)C
• Canonical SMILES: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C17H27NO4/c1-16(2)11-17(8-9-21-16)13(10-14(19)22-17)15(20)18-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,18,20)
• InChIKey: BIKCJVMIGIXVFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275498
• PubChem CID: 16003730

CALCULATED PROPERTIES

• Acid pKa: 15.56604
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3263134
• LogD (pH = 7.4): 1.3263137
• Log P: 1.3263137
• Molar Refractivity: 81.5492 cm^3
• Polarizability: 32.552967 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds