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

C11H20N2O2 — CID 107487454

IUPAC2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCOC(C)C(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-9(15-2)11(14)13-8-5-10-3-6-12-7-4-10/h3,9,12H,4-8H2,1-2H3,(H,13,14)
InChIKeyJXOXUJHMRKAANQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds5

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

2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (PubChem CID 107487454) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
PubChem CID107487454
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESCOC(C)C(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-9(15-2)11(14)13-8-5-10-3-6-12-7-4-10/h3,9,12H,4-8H2,1-2H3,(H,13,14)
InChIKeyJXOXUJHMRKAANQ-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The IUPAC name of 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (CID 107487454) is 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is COC(C)C(=O)NCCC1=CCNCC1.
What is the InChIKey of 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The InChIKey is JXOXUJHMRKAANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(15-2)11(14)13-8-5-10-3-6-12-7-4-10/h3,9,12H,4-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
2-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, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is sourced from PubChem (CID 107487454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).