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

C11H15NO5 — CID 82064562

IUPACN-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCOCCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C11H15NO5/c1-8-11(9(13)3-5-16-8)17-7-10(14)12-4-6-15-2/h3,5H,4,6-7H2,1-2H3,(H,12,14)
InChIKeyJIDZTTQEJXCGQV-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.09
Rot. Bonds6

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

N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064562) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064562
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC NameN-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCOCCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C11H15NO5/c1-8-11(9(13)3-5-16-8)17-7-10(14)12-4-6-15-2/h3,5H,4,6-7H2,1-2H3,(H,12,14)
InChIKeyJIDZTTQEJXCGQV-UHFFFAOYSA-N
XLogP0.09
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
CID 90672508
N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-(2-fluoroethyl)-2,3-dihydrofuran-5-carboxamide
CID 130723672
N-cyclopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378251
N-[4-(2-methyl-4-oxopyran-3-yl)oxybutyl]prop-2-enamide
CID 13797268
N-[4-(2-ethyl-4-oxopyran-3-yl)oxybutyl]prop-2-enamide
CID 20214474
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 54696509
3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
CID 89390543
N-[2-[(E)-2-oxohex-3-enoxy]ethyl]but-3-enamide
CID 123876095
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
CID 143761978

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064562) is N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is COCCNC(=O)COc1c(C)occc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is JIDZTTQEJXCGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-8-11(9(13)3-5-16-8)17-7-10(14)12-4-6-15-2/h3,5H,4,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 241.24 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).