N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide

C12H17NO5 — CID 79021269

IUPACN,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO5/c1-3-13(4-2)12(16)8-18-11-7-17-9(6-14)5-10(11)15/h5,7,14H,3-4,6,8H2,1-2H3
InChIKeyLKQRYIRKUWTUPW-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.38
Rot. Bonds6

About N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide

N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 79021269) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID79021269
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC NameN,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO5/c1-3-13(4-2)12(16)8-18-11-7-17-9(6-14)5-10(11)15/h5,7,14H,3-4,6,8H2,1-2H3
InChIKeyLKQRYIRKUWTUPW-UHFFFAOYSA-N
XLogP0.38
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (CID 79021269) is N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide is CCN(CC)C(=O)COc1coc(CO)cc1=O.
What is the InChIKey of N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is LKQRYIRKUWTUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-3-13(4-2)12(16)8-18-11-7-17-9(6-14)5-10(11)15/h5,7,14H,3-4,6,8H2,1-2H3.
What are the key properties of N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 255.27 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 79021269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).