About N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide (PubChem CID 675127) has the molecular formula C18H20N2O3
and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide.
Molecular Properties
| Compound Name | N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide |
| PubChem CID | 675127 |
| Molecular Formula | C18H20N2O3 |
| Molecular Weight | 312.37 g/mol |
| Exact Mass | 312.15 |
| IUPAC Name | N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide |
| SMILES | O=C(COc1ccccc1)Nc1ccc(N2CCOCC2)cc1 |
| InChI | InChI=1S/C18H20N2O3/c21-18(14-23-17-4-2-1-3-5-17)19-15-6-8-16(9-7-15)20-10-12-22-13-11-20/h1-9H,10-14H2,(H,19,21) |
| InChIKey | ZQQOWEMMFOAYAQ-UHFFFAOYSA-N |
| XLogP | 2.54 |
| TPSA | 50.80 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 312.37 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide (CID 675127) is N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide?
The InChIKey is ZQQOWEMMFOAYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(14-23-17-4-2-1-3-5-17)19-15-6-8-16(9-7-15)20-10-12-22-13-11-20/h1-9H,10-14H2,(H,19,21).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide?
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide is sourced from PubChem (CID 675127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).