N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide

C15H26N2O3 — CID 145466519

IUPACN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCNC(=O)C(NC(=O)C1CC12CCOCC2)C(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-14(2,3)11(13(19)16-4)17-12(18)10-9-15(10)5-7-20-8-6-15/h10-11H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXWZOQPULYRZEDT-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.08
Rot. Bonds3

About N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 145466519) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID145466519
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCNC(=O)C(NC(=O)C1CC12CCOCC2)C(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-14(2,3)11(13(19)16-4)17-12(18)10-9-15(10)5-7-20-8-6-15/h10-11H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXWZOQPULYRZEDT-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 145466519) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide is CNC(=O)C(NC(=O)C1CC12CCOCC2)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is XWZOQPULYRZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)11(13(19)16-4)17-12(18)10-9-15(10)5-7-20-8-6-15/h10-11H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 145466519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).