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

C12H17NO5 — CID 79021327

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO5/c1-8(2)4-13-12(16)7-18-11-6-17-9(5-14)3-10(11)15/h3,6,8,14H,4-5,7H2,1-2H3,(H,13,16)
InChIKeyRIOLQBQTKAERNL-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.28
Rot. Bonds6

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

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide (PubChem CID 79021327) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide
PubChem CID79021327
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO5/c1-8(2)4-13-12(16)7-18-11-6-17-9(5-14)3-10(11)15/h3,6,8,14H,4-5,7H2,1-2H3,(H,13,16)
InChIKeyRIOLQBQTKAERNL-UHFFFAOYSA-N
XLogP0.28
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 79869775
2-[(Diethylazaniumyl)methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate
CID 29529863
N-(2-aminoethyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 54696516
3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide
CID 89078883
N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89080855
N-(2-amino-2-ethylbutyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89390541
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide
CID 130410727
N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021111
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
CID 79021216
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide
CID 79021217
N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021269
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide
CID 79021270

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide (CID 79021327) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide?
The InChIKey is RIOLQBQTKAERNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-8(2)4-13-12(16)7-18-11-6-17-9(5-14)3-10(11)15/h3,6,8,14H,4-5,7H2,1-2H3,(H,13,16).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide has a molecular weight of 255.27 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 79021327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).