About 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide (PubChem CID 2787094) has the molecular formula C16H17NO2
and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide.
Molecular Properties
| Compound Name | 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide |
| PubChem CID | 2787094 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.32 g/mol |
| Exact Mass | 255.13 |
| IUPAC Name | 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide |
| SMILES | Cc1cccc(NC(=O)COc2cccc(C)c2)c1 |
| InChI | InChI=1S/C16H17NO2/c1-12-5-3-7-14(9-12)17-16(18)11-19-15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3,(H,17,18) |
| InChIKey | WBIGTIFZPFWOTR-UHFFFAOYSA-N |
| XLogP | 3.32 |
| TPSA | 38.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 255.32 |
| LogP ≤ 5 | 3.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide (CID 2787094) is 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide?
The InChIKey is WBIGTIFZPFWOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-5-3-7-14(9-12)17-16(18)11-19-15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide?
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2787094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).