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

C15H21NO5 — CID 82063964

IUPACN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
SMILESCN(C(=O)COc1coc(CO)cc1=O)C1CCCCC1
InChIInChI=1S/C15H21NO5/c1-16(11-5-3-2-4-6-11)15(19)10-21-14-9-20-12(8-17)7-13(14)18/h7,9,11,17H,2-6,8,10H2,1H3
InChIKeyUPIBVCGNHJHENA-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.30
Rot. Bonds5

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

N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide (PubChem CID 82063964) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
PubChem CID82063964
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
SMILESCN(C(=O)COc1coc(CO)cc1=O)C1CCCCC1
InChIInChI=1S/C15H21NO5/c1-16(11-5-3-2-4-6-11)15(19)10-21-14-9-20-12(8-17)7-13(14)18/h7,9,11,17H,2-6,8,10H2,1H3
InChIKeyUPIBVCGNHJHENA-UHFFFAOYSA-N
XLogP1.30
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-6-(hydroxymethyl)-2-((2-methylpiperidin-1-yl)methyl)-4H-pyran-4-one
CID 16417718
3-hydroxy-6-(hydroxymethyl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]pyran-4-one
CID 29098662
3-hydroxy-6-(hydroxymethyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]pyran-4-one
CID 29098664
N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021111
2-(Hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
CID 79021162
5-[2-(Azepan-1-yl)-2-oxoethoxy]-2-(hydroxymethyl)pyran-4-one
CID 79021215
N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021269
N-butan-2-yl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021376
2-(Hydroxymethyl)-5-(2-piperidin-1-ylethoxy)pyran-4-one
CID 79021377
N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021419
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methyl-N-propan-2-ylacetamide
CID 79868811
2-(Hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one
CID 79868883

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide (CID 82063964) is N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide is CN(C(=O)COc1coc(CO)cc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
The InChIKey is UPIBVCGNHJHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-16(11-5-3-2-4-6-11)15(19)10-21-14-9-20-12(8-17)7-13(14)18/h7,9,11,17H,2-6,8,10H2,1H3.
What are the key properties of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide has a molecular weight of 295.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 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]oxy-N-methylacetamide is sourced from PubChem (CID 82063964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).