2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide

C15H16N2O2 — CID 838189

IUPAC2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(2)15(11)19-10-14(18)17-13-6-8-16-9-7-13/h3-9H,10H2,1-2H3,(H,16,17,18)
InChIKeyJUUMMYLHDXTKLX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.72
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide

2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 838189) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID838189
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(2)15(11)19-10-14(18)17-13-6-8-16-9-7-13/h3-9H,10H2,1-2H3,(H,16,17,18)
InChIKeyJUUMMYLHDXTKLX-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide (CID 838189) is 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide is Cc1cccc(C)c1OCC(=O)Nc1ccncc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is JUUMMYLHDXTKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-3-5-12(2)15(11)19-10-14(18)17-13-6-8-16-9-7-13/h3-9H,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide?
2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 256.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 838189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).