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

C14H19NO5 — CID 79021111

IUPACN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CO)cc1=O)NC1CCCCC1
InChIInChI=1S/C14H19NO5/c16-7-11-6-12(17)13(8-19-11)20-9-14(18)15-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2,(H,15,18)
InChIKeyNOCBWMVIWSGTBN-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.96
Rot. Bonds5

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

N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 79021111) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID79021111
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CO)cc1=O)NC1CCCCC1
InChIInChI=1S/C14H19NO5/c16-7-11-6-12(17)13(8-19-11)20-9-14(18)15-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2,(H,15,18)
InChIKeyNOCBWMVIWSGTBN-UHFFFAOYSA-N
XLogP0.96
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (CID 79021111) is N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CO)cc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is NOCBWMVIWSGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c16-7-11-6-12(17)13(8-19-11)20-9-14(18)15-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2,(H,15,18).
What are the key properties of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 281.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 79021111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).