About N-methyl-N'-(4-phenoxyphenyl)oxamide
N-methyl-N'-(4-phenoxyphenyl)oxamide (PubChem CID 2203829) has the molecular formula C15H14N2O3
and a molecular weight of 270.29 g/mol. Its IUPAC name is N-methyl-N'-(4-phenoxyphenyl)oxamide.
Molecular Properties
| Compound Name | N-methyl-N'-(4-phenoxyphenyl)oxamide |
| PubChem CID | 2203829 |
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.29 g/mol |
| Exact Mass | 270.10 |
| IUPAC Name | N-methyl-N'-(4-phenoxyphenyl)oxamide |
| SMILES | CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 |
| InChI | InChI=1S/C15H14N2O3/c1-16-14(18)15(19)17-11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)(H,17,19) |
| InChIKey | OWBFKMWMMIILQR-UHFFFAOYSA-N |
| XLogP | 2.16 |
| TPSA | 67.43 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 270.29 |
| LogP ≤ 5 | 2.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N'-(4-phenoxyphenyl)oxamide?
The IUPAC name of N-methyl-N'-(4-phenoxyphenyl)oxamide (CID 2203829) is N-methyl-N'-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N-methyl-N'-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N-methyl-N'-(4-phenoxyphenyl)oxamide is CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-N'-(4-phenoxyphenyl)oxamide?
The InChIKey is OWBFKMWMMIILQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-16-14(18)15(19)17-11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-methyl-N'-(4-phenoxyphenyl)oxamide?
N-methyl-N'-(4-phenoxyphenyl)oxamide has a molecular weight of 270.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 2203829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).