2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide

C16H18N2O2 — CID 756599

IUPAC2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cccc(OCC(=O)NCc2ccncc2)c1C
InChIInChI=1S/C16H18N2O2/c1-12-4-3-5-15(13(12)2)20-11-16(19)18-10-14-6-8-17-9-7-14/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyAHDSGFSZHLKGBF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.39
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide

2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 756599) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID756599
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cccc(OCC(=O)NCc2ccncc2)c1C
InChIInChI=1S/C16H18N2O2/c1-12-4-3-5-15(13(12)2)20-11-16(19)18-10-14-6-8-17-9-7-14/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyAHDSGFSZHLKGBF-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide (CID 756599) is 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide is Cc1cccc(OCC(=O)NCc2ccncc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is AHDSGFSZHLKGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-4-3-5-15(13(12)2)20-11-16(19)18-10-14-6-8-17-9-7-14/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 756599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).