2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide

C12H17NO5 — CID 79868811

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO5/c1-8(2)13(3)12(16)7-18-11-6-17-9(5-14)4-10(11)15/h4,6,8,14H,5,7H2,1-3H3
InChIKeyDVIODFCGICAFMR-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.38
Rot. Bonds5

About 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide (PubChem CID 79868811) 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-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide
PubChem CID79868811
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO5/c1-8(2)13(3)12(16)7-18-11-6-17-9(5-14)4-10(11)15/h4,6,8,14H,5,7H2,1-3H3
InChIKeyDVIODFCGICAFMR-UHFFFAOYSA-N
XLogP0.38
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide (CID 79868811) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide?
The InChIKey is DVIODFCGICAFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-8(2)13(3)12(16)7-18-11-6-17-9(5-14)4-10(11)15/h4,6,8,14H,5,7H2,1-3H3.
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide has a molecular weight of 255.27 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79868811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).