About 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide (PubChem CID 43916072) has the molecular formula C17H19NO3
and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide.
Molecular Properties
| Compound Name | 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide |
| PubChem CID | 43916072 |
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.34 g/mol |
| Exact Mass | 285.14 |
| IUPAC Name | 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide |
| SMILES | COc1cccc(OC(C)C(=O)N(C)c2ccccc2)c1 |
| InChI | InChI=1S/C17H19NO3/c1-13(21-16-11-7-10-15(12-16)20-3)17(19)18(2)14-8-5-4-6-9-14/h4-13H,1-3H3 |
| InChIKey | JLSLADXRWAIFET-UHFFFAOYSA-N |
| XLogP | 3.13 |
| TPSA | 38.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 285.34 |
| LogP ≤ 5 | 3.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide (CID 43916072) is 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide is COc1cccc(OC(C)C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide?
The InChIKey is JLSLADXRWAIFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(21-16-11-7-10-15(12-16)20-3)17(19)18(2)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide?
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide has a molecular weight of 285.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 43916072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).