About 2-ethoxy-N-(4-hydroxyphenyl)benzamide
2-ethoxy-N-(4-hydroxyphenyl)benzamide (PubChem CID 836714) has the molecular formula C15H15NO3
and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-ethoxy-N-(4-hydroxyphenyl)benzamide.
Molecular Properties
| Compound Name | 2-ethoxy-N-(4-hydroxyphenyl)benzamide |
| PubChem CID | 836714 |
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.29 g/mol |
| Exact Mass | 257.11 |
| IUPAC Name | 2-ethoxy-N-(4-hydroxyphenyl)benzamide |
| SMILES | CCOc1ccccc1C(=O)Nc1ccc(O)cc1 |
| InChI | InChI=1S/C15H15NO3/c1-2-19-14-6-4-3-5-13(14)15(18)16-11-7-9-12(17)10-8-11/h3-10,17H,2H2,1H3,(H,16,18) |
| InChIKey | ATAGHPWHVMMAOD-UHFFFAOYSA-N |
| XLogP | 3.04 |
| TPSA | 58.56 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 257.29 |
| LogP ≤ 5 | 3.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxy-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 2-ethoxy-N-(4-hydroxyphenyl)benzamide (CID 836714) is 2-ethoxy-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(4-hydroxyphenyl)benzamide is CCOc1ccccc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-ethoxy-N-(4-hydroxyphenyl)benzamide?
The InChIKey is ATAGHPWHVMMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-14-6-4-3-5-13(14)15(18)16-11-7-9-12(17)10-8-11/h3-10,17H,2H2,1H3,(H,16,18).
What are the key properties of 2-ethoxy-N-(4-hydroxyphenyl)benzamide?
2-ethoxy-N-(4-hydroxyphenyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 836714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).