About N-[4-(dimethylamino)phenyl]-2-phenylacetamide
N-[4-(dimethylamino)phenyl]-2-phenylacetamide (PubChem CID 4095589) has the molecular formula C16H18N2O
and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-phenylacetamide.
Molecular Properties
| Compound Name | N-[4-(dimethylamino)phenyl]-2-phenylacetamide |
| PubChem CID | 4095589 |
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.33 g/mol |
| Exact Mass | 254.14 |
| IUPAC Name | N-[4-(dimethylamino)phenyl]-2-phenylacetamide |
| SMILES | CN(C)c1ccc(NC(=O)Cc2ccccc2)cc1 |
| InChI | InChI=1S/C16H18N2O/c1-18(2)15-10-8-14(9-11-15)17-16(19)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19) |
| InChIKey | VDWYNFKWOPYDAS-UHFFFAOYSA-N |
| XLogP | 2.93 |
| TPSA | 32.34 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 | 254.33 |
| LogP ≤ 5 | 2.93 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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-(dimethylamino)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-phenylacetamide (CID 4095589) is N-[4-(dimethylamino)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-phenylacetamide is CN(C)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-phenylacetamide?
The InChIKey is VDWYNFKWOPYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(2)15-10-8-14(9-11-15)17-16(19)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-phenylacetamide?
N-[4-(dimethylamino)phenyl]-2-phenylacetamide has a molecular weight of 254.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-phenylacetamide is sourced from PubChem (CID 4095589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).