About 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 2951611) has the molecular formula C19H23NO3
and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide.
Molecular Properties
| Compound Name | 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide |
| PubChem CID | 2951611 |
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.40 g/mol |
| Exact Mass | 313.17 |
| IUPAC Name | 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide |
| SMILES | COc1ccc(OC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1 |
| InChI | InChI=1S/C19H23NO3/c1-13(2)15-5-7-16(8-6-15)20-19(21)14(3)23-18-11-9-17(22-4)10-12-18/h5-14H,1-4H3,(H,20,21) |
| InChIKey | VNDBWXSUIVFDQZ-UHFFFAOYSA-N |
| XLogP | 4.22 |
| TPSA | 47.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 313.40 |
| LogP ≤ 5 | 4.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide (CID 2951611) is 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is VNDBWXSUIVFDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(2)15-5-7-16(8-6-15)20-19(21)14(3)23-18-11-9-17(22-4)10-12-18/h5-14H,1-4H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide?
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 2951611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).