About 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (PubChem CID 103339639) has the molecular formula C15H22N2O2
and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.
Molecular Properties
| Compound Name | 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide |
| PubChem CID | 103339639 |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.35 g/mol |
| Exact Mass | 262.17 |
| IUPAC Name | 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide |
| SMILES | C=CCN(CCOC)C(=O)c1ccccc1NCC |
| InChI | InChI=1S/C15H22N2O2/c1-4-10-17(11-12-19-3)15(18)13-8-6-7-9-14(13)16-5-2/h4,6-9,16H,1,5,10-12H2,2-3H3 |
| InChIKey | PWJFFBKCSXBBHO-UHFFFAOYSA-N |
| XLogP | 2.39 |
| TPSA | 41.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 262.35 |
| LogP ≤ 5 | 2.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide 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-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (CID 103339639) is 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCOC)C(=O)c1ccccc1NCC.
What is the InChIKey of 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is PWJFFBKCSXBBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10-17(11-12-19-3)15(18)13-8-6-7-9-14(13)16-5-2/h4,6-9,16H,1,5,10-12H2,2-3H3.
What are the key properties of 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 103339639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).