2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide

C11H15NO6 — CID 79021270

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C11H15NO6/c1-16-3-2-12-11(15)7-18-10-6-17-8(5-13)4-9(10)14/h4,6,13H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyAHXWESMREFHBGW-UHFFFAOYSA-N
MW257.24 g/mol
LogP-0.73
Rot. Bonds7

About 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide (PubChem CID 79021270) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide
PubChem CID79021270
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C11H15NO6/c1-16-3-2-12-11(15)7-18-10-6-17-8(5-13)4-9(10)14/h4,6,13H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyAHXWESMREFHBGW-UHFFFAOYSA-N
XLogP-0.73
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide (CID 79021270) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide?
The InChIKey is AHXWESMREFHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-16-3-2-12-11(15)7-18-10-6-17-8(5-13)4-9(10)14/h4,6,13H,2-3,5,7H2,1H3,(H,12,15).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide has a molecular weight of 257.24 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 79021270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).