About 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid
2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid (PubChem CID 2142426) has the molecular formula C17H17NO4
and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid.
Molecular Properties
| Compound Name | 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid |
|---|
| PubChem CID | 2142426 |
|---|
| Molecular Formula | C17H17NO4 |
|---|
| Molecular Weight | 299.33 g/mol |
|---|
| Exact Mass | 299.12 |
|---|
| IUPAC Name | 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid |
|---|
| SMILES | COCCNC(=O)c1ccccc1-c1ccccc1C(=O)O |
|---|
| InChI | InChI=1S/C17H17NO4/c1-22-11-10-18-16(19)14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(20)21/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21) |
|---|
| InChIKey | GFMWYHFCUARWAA-UHFFFAOYSA-N |
|---|
| XLogP | 2.43 |
|---|
| TPSA | 75.63 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 22 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 299.33 |
| LogP ≤ 5 | 2.43 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid (CID 2142426) is 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid is COCCNC(=O)c1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid?
The InChIKey is GFMWYHFCUARWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-22-11-10-18-16(19)14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(20)21/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid?
2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 2142426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).