HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57719976Generated: October 27, 2026
Dimethyl 2-(3-{2-[(4-methoxyanilinocarbonyl)-oxy]ethyl}benzyl)malonate
https://huagongshe.com/en/chemical/57719976
Identifiers & Physical Properties
| Molecular formula | C22H25NO7 |
|---|
| Average molar mass | 415.4 g/mol |
|---|
| Monoisotopic mass | 415.16310214 g/mol |
|---|
| SMILES | COC(=O)C(Cc1cccc(CCOC(=O)Nc2ccc(OC)cc2)c1)C(=O)OC |
|---|
| InChIKey | XVTDGTDVPTWHLV-UHFFFAOYSA-N |
|---|
| PubChem CID | 57719976 |
|---|
Chemical & Physical Properties
| XLogP | 3.6 |
|---|
| Topological polar surface area | 100 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 12 |
|---|
| Heavy atoms | 30 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 544 |
|---|
![Dimethyl 2-(3-{2-[(4-methoxyanilinocarbonyl)-oxy]ethyl}benzyl)malonate molecular structure](/img/chemical/57719976.png)