About 4-[1-(2-ethoxyphenyl)ethylamino]benzamide
4-[1-(2-ethoxyphenyl)ethylamino]benzamide (PubChem CID 43193018) has the molecular formula C17H20N2O2
and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[1-(2-ethoxyphenyl)ethylamino]benzamide.
Molecular Properties
| Compound Name | 4-[1-(2-ethoxyphenyl)ethylamino]benzamide |
| PubChem CID | 43193018 |
| Molecular Formula | C17H20N2O2 |
| Molecular Weight | 284.36 g/mol |
| Exact Mass | 284.15 |
| IUPAC Name | 4-[1-(2-ethoxyphenyl)ethylamino]benzamide |
| SMILES | CCOc1ccccc1C(C)Nc1ccc(C(N)=O)cc1 |
| InChI | InChI=1S/C17H20N2O2/c1-3-21-16-7-5-4-6-15(16)12(2)19-14-10-8-13(9-11-14)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20) |
| InChIKey | CWRQMAKEWQQUSW-UHFFFAOYSA-N |
| XLogP | 3.36 |
| TPSA | 64.35 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 284.36 |
| LogP ≤ 5 | 3.36 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
The IUPAC name of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide (CID 43193018) is 4-[1-(2-ethoxyphenyl)ethylamino]benzamide.
What is the SMILES notation for 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
The canonical SMILES for 4-[1-(2-ethoxyphenyl)ethylamino]benzamide is CCOc1ccccc1C(C)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
The InChIKey is CWRQMAKEWQQUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-16-7-5-4-6-15(16)12(2)19-14-10-8-13(9-11-14)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20).
What are the key properties of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
4-[1-(2-ethoxyphenyl)ethylamino]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyphenyl)ethylamino]benzamide is sourced from PubChem (CID 43193018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).