About 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide (PubChem CID 867710) has the molecular formula C16H18N2O2
and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide.
Molecular Properties
| Compound Name | 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide |
| PubChem CID | 867710 |
| Molecular Formula | C16H18N2O2 |
| Molecular Weight | 270.33 g/mol |
| Exact Mass | 270.14 |
| IUPAC Name | 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide |
| SMILES | COc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 |
| InChI | InChI=1S/C16H18N2O2/c1-18(2)14-8-4-12(5-9-14)16(19)17-13-6-10-15(20-3)11-7-13/h4-11H,1-3H3,(H,17,19) |
| InChIKey | AQWKSKGUYZPGJL-UHFFFAOYSA-N |
| XLogP | 3.01 |
| TPSA | 41.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 270.33 |
| LogP ≤ 5 | 3.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide (CID 867710) is 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide?
The InChIKey is AQWKSKGUYZPGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(2)14-8-4-12(5-9-14)16(19)17-13-6-10-15(20-3)11-7-13/h4-11H,1-3H3,(H,17,19).
What are the key properties of 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide?
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 867710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).