2-tert-butylhexanamide; 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]hexanoate

Systemtic Name: 2-tert-butylhexanamide; 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]hexanoate Openeye Name: 2-tert-butylhexanamide; 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]hexanoate CAS Name: 2-tert-butylhexanamide; 3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]hexanoate IUPAC Name: 2-tert-butylhexanamide; 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]hexanoate Traditional Name: 2-tert-butylhexanamide; 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]hexanoate Formula: C25H47N2O6- MolecularWeight: 471.65048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)C(C)(C)C.CCCC(CC(=O)[O-])NC(=O)C1C(COC(O1)(C)C)(C)C

Isomeric SMILES

CCCCC(C(=O)N)C(C)(C)C.CCCC(CC(=O)[O-])NC(=O)C1C(COC(O1)(C)C)(C)C

InChI

InChI=1S/C15H27NO5.C10H21NO/c1-6-7-10(8-11(17)18)16-13(19)12-14(2,3)9-20-15(4,5)21-12;1-5-6-7-8(9(11)12)10(2,3)4/h10,12H,6-9H2,1-5H3,(H,16,19)(H,17,18);8H,5-7H2,1-4H3,(H2,11,12)/p-1