2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide

C12H18N2O4 — CID 91971358

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide
SMILESCOCCOCCOCC(=O)Nc1ccncc1
InChIInChI=1S/C12H18N2O4/c1-16-6-7-17-8-9-18-10-12(15)14-11-2-4-13-5-3-11/h2-5H,6-10H2,1H3,(H,13,14,15)
InChIKeyQGIVMIHWUJMGBN-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.70
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide

2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide (PubChem CID 91971358) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide
PubChem CID91971358
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide
SMILESCOCCOCCOCC(=O)Nc1ccncc1
InChIInChI=1S/C12H18N2O4/c1-16-6-7-17-8-9-18-10-12(15)14-11-2-4-13-5-3-11/h2-5H,6-10H2,1H3,(H,13,14,15)
InChIKeyQGIVMIHWUJMGBN-UHFFFAOYSA-N
XLogP0.70
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide (CID 91971358) is 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide is COCCOCCOCC(=O)Nc1ccncc1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide?
The InChIKey is QGIVMIHWUJMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-6-7-17-8-9-18-10-12(15)14-11-2-4-13-5-3-11/h2-5H,6-10H2,1H3,(H,13,14,15).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide?
2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide has a molecular weight of 254.29 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 91971358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).