About 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide (PubChem CID 16785552) has the molecular formula C16H18N2O
and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide.
Molecular Properties
| Compound Name | 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide |
| PubChem CID | 16785552 |
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.33 g/mol |
| Exact Mass | 254.14 |
| IUPAC Name | 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide |
| SMILES | CCc1cccc(NC(=O)Cc2ccccc2N)c1 |
| InChI | InChI=1S/C16H18N2O/c1-2-12-6-5-8-14(10-12)18-16(19)11-13-7-3-4-9-15(13)17/h3-10H,2,11,17H2,1H3,(H,18,19) |
| InChIKey | IGMNSDDZUFLWTE-UHFFFAOYSA-N |
| XLogP | 3.01 |
| TPSA | 55.12 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.33 |
| LogP ≤ 5 | 3.01 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide (CID 16785552) is 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cc2ccccc2N)c1.
What is the InChIKey of 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide?
The InChIKey is IGMNSDDZUFLWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-12-6-5-8-14(10-12)18-16(19)11-13-7-3-4-9-15(13)17/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide?
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 16785552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).