N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide

C12H17NO4 — CID 122571870

IUPACN-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cc(=O)cc(C)o1
InChIInChI=1S/C12H17NO4/c1-8-5-9(14)6-10(17-8)11(15)13-12(2,3)7-16-4/h5-6H,7H2,1-4H3,(H,13,15)
InChIKeyHSVIIJFYEQBVHV-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.10
Rot. Bonds4

About N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide

N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 122571870) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide
PubChem CID122571870
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cc(=O)cc(C)o1
InChIInChI=1S/C12H17NO4/c1-8-5-9(14)6-10(17-8)11(15)13-12(2,3)7-16-4/h5-6H,7H2,1-4H3,(H,13,15)
InChIKeyHSVIIJFYEQBVHV-UHFFFAOYSA-N
XLogP1.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 166256656
2-N,6-N-ditert-butyl-4-oxopyran-2,6-dicarboxamide
CID 57583583
N,6-ditert-butyl-4-oxopyran-2-carboxamide
CID 57583591
N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126988845
(Z)-N-tert-butyl-2-prop-1-en-2-yloxybut-2-enamide;ethane
CID 144425609
5,5-dimethyl-4-(2-oxopropoxy)-1H-pyrrol-2-one
CID 164082882
5-Methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one
CID 11615203
5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide
CID 100694503
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532
(Z)-N-tert-butyl-2-prop-1-en-2-yloxybut-2-enamide
CID 144425610

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide (CID 122571870) is N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide is COCC(C)(C)NC(=O)c1cc(=O)cc(C)o1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is HSVIIJFYEQBVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8-5-9(14)6-10(17-8)11(15)13-12(2,3)7-16-4/h5-6H,7H2,1-4H3,(H,13,15).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 122571870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).