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

C15H21NO5 — CID 79871500

IUPACN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide
SMILESCC(Oc1coc(CO)cc1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NO5/c1-10(15(19)16-11-5-3-2-4-6-11)21-14-9-20-12(8-17)7-13(14)18/h7,9-11,17H,2-6,8H2,1H3,(H,16,19)
InChIKeyXPMUOHHRKGGLAF-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.35
Rot. Bonds5

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

N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide (PubChem CID 79871500) 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]oxypropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide
PubChem CID79871500
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide
SMILESCC(Oc1coc(CO)cc1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NO5/c1-10(15(19)16-11-5-3-2-4-6-11)21-14-9-20-12(8-17)7-13(14)18/h7,9-11,17H,2-6,8H2,1H3,(H,16,19)
InChIKeyXPMUOHHRKGGLAF-UHFFFAOYSA-N
XLogP1.35
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide?
The IUPAC name of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide (CID 79871500) is N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide?
The canonical SMILES for N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide is CC(Oc1coc(CO)cc1=O)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide?
The InChIKey is XPMUOHHRKGGLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(15(19)16-11-5-3-2-4-6-11)21-14-9-20-12(8-17)7-13(14)18/h7,9-11,17H,2-6,8H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide?
N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxypropanamide has a molecular weight of 295.33 g/mol, XLogP of 1.35, 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]oxypropanamide is sourced from PubChem (CID 79871500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).