N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C9H11NO4 — CID 82064659

IUPACN-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C9H11NO4/c1-6-9(7(11)3-4-13-6)14-5-8(12)10-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyXQUXZRBOQFPENG-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.07
Rot. Bonds3

About N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064659) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064659
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC NameN-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C9H11NO4/c1-6-9(7(11)3-4-13-6)14-5-8(12)10-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyXQUXZRBOQFPENG-UHFFFAOYSA-N
XLogP0.07
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
2-N,6-N-dimethyl-4-oxopyran-2,6-dicarboxamide
CID 54454514
3-hydroxy-N-methyl-4-oxopyran-2-carboxamide
CID 87508369
N-methyl-2,3-dihydrofuran-5-carboxamide
CID 89344938
N-methyl-4H-pyran-2-carboxamide
CID 142682969
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
CID 143761978
cyclohexa-2,5-diene-1,4-dione;4H-1,4-oxazin-3-one
CID 162128336
Bis[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)oxyethyl]azanium
CID 167335076
4-oxo-N-propan-2-ylpyran-2-carboxamide
CID 171049178
5-methoxy-4-oxo-N-propyl-4H-pyran-2-carboxamide
CID 45537834
N-butyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537835
N-isopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537836

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064659) is N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is CNC(=O)COc1c(C)occc1=O.
What is the InChIKey of N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is XQUXZRBOQFPENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-9(7(11)3-4-13-6)14-5-8(12)10-2/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 197.19 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).