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

C11H20N2O2 — CID 107487168

IUPAC3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCOCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-15-9-5-11(14)13-8-4-10-2-6-12-7-3-10/h2,12H,3-9H2,1H3,(H,13,14)
InChIKeyAHUPBNARIWCYOA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

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

3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (PubChem CID 107487168) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
PubChem CID107487168
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCOCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-15-9-5-11(14)13-8-4-10-2-6-12-7-3-10/h2,12H,3-9H2,1H3,(H,13,14)
InChIKeyAHUPBNARIWCYOA-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (CID 107487168) is 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is COCCC(=O)NCCC1=CCNCC1.
What is the InChIKey of 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The InChIKey is AHUPBNARIWCYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-9-5-11(14)13-8-4-10-2-6-12-7-3-10/h2,12H,3-9H2,1H3,(H,13,14).
What are the key properties of 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is sourced from PubChem (CID 107487168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).