3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

C13H24N2O2 — CID 107486796

IUPAC3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCCCOCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-2-10-17-11-6-13(16)15-9-5-12-3-7-14-8-4-12/h3,14H,2,4-11H2,1H3,(H,15,16)
InChIKeyJCSJVGSXKOOXAC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.23
Rot. Bonds8

About 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (PubChem CID 107486796) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
PubChem CID107486796
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCCCOCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-2-10-17-11-6-13(16)15-9-5-12-3-7-14-8-4-12/h3,14H,2,4-11H2,1H3,(H,15,16)
InChIKeyJCSJVGSXKOOXAC-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The IUPAC name of 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (CID 107486796) is 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The canonical SMILES for 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is CCCOCCC(=O)NCCC1=CCNCC1.
What is the InChIKey of 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The InChIKey is JCSJVGSXKOOXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-10-17-11-6-13(16)15-9-5-12-3-7-14-8-4-12/h3,14H,2,4-11H2,1H3,(H,15,16).
What are the key properties of 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is sourced from PubChem (CID 107486796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).