About 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide (PubChem CID 62834257) has the molecular formula C11H24N2O2
and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide.
Molecular Properties
| Compound Name | 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide |
| PubChem CID | 62834257 |
| Molecular Formula | C11H24N2O2 |
| Molecular Weight | 216.32 g/mol |
| Exact Mass | 216.18 |
| IUPAC Name | 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide |
| SMILES | CCNC(C)(C)C(=O)NCCCCOC |
| InChI | InChI=1S/C11H24N2O2/c1-5-13-11(2,3)10(14)12-8-6-7-9-15-4/h13H,5-9H2,1-4H3,(H,12,14) |
| InChIKey | KBNOOQJOGSNEDU-UHFFFAOYSA-N |
| XLogP | 0.92 |
| TPSA | 50.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 216.32 |
| LogP ≤ 5 | 0.92 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide?
The IUPAC name of 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide (CID 62834257) is 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide?
The canonical SMILES for 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide is CCNC(C)(C)C(=O)NCCCCOC.
What is the InChIKey of 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide?
The InChIKey is KBNOOQJOGSNEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-13-11(2,3)10(14)12-8-6-7-9-15-4/h13H,5-9H2,1-4H3,(H,12,14).
What are the key properties of 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide?
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide is sourced from PubChem (CID 62834257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).