About N-(4-pyridin-4-yloxyphenyl)acetamide
N-(4-pyridin-4-yloxyphenyl)acetamide (PubChem CID 49363593) has the molecular formula C13H12N2O2
and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(4-pyridin-4-yloxyphenyl)acetamide.
Molecular Properties
| Compound Name | N-(4-pyridin-4-yloxyphenyl)acetamide |
| PubChem CID | 49363593 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.25 g/mol |
| Exact Mass | 228.09 |
| IUPAC Name | N-(4-pyridin-4-yloxyphenyl)acetamide |
| SMILES | CC(=O)Nc1ccc(Oc2ccncc2)cc1 |
| InChI | InChI=1S/C13H12N2O2/c1-10(16)15-11-2-4-12(5-3-11)17-13-6-8-14-9-7-13/h2-9H,1H3,(H,15,16) |
| InChIKey | SXGHYHSPEBRZFO-UHFFFAOYSA-N |
| XLogP | 2.83 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 228.25 |
| LogP ≤ 5 | 2.83 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-pyridin-4-yloxyphenyl)acetamide?
The IUPAC name of N-(4-pyridin-4-yloxyphenyl)acetamide (CID 49363593) is N-(4-pyridin-4-yloxyphenyl)acetamide.
What is the SMILES notation for N-(4-pyridin-4-yloxyphenyl)acetamide?
The canonical SMILES for N-(4-pyridin-4-yloxyphenyl)acetamide is CC(=O)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-(4-pyridin-4-yloxyphenyl)acetamide?
The InChIKey is SXGHYHSPEBRZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10(16)15-11-2-4-12(5-3-11)17-13-6-8-14-9-7-13/h2-9H,1H3,(H,15,16).
What are the key properties of N-(4-pyridin-4-yloxyphenyl)acetamide?
N-(4-pyridin-4-yloxyphenyl)acetamide has a molecular weight of 228.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-yloxyphenyl)acetamide is sourced from PubChem (CID 49363593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).