About 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide (PubChem CID 155599481) has the molecular formula C11H24N2O
and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide.
Molecular Properties
| Compound Name | 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide |
| PubChem CID | 155599481 |
| Molecular Formula | C11H24N2O |
| Molecular Weight | 200.33 g/mol |
| Exact Mass | 200.19 |
| IUPAC Name | 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide |
| SMILES | CCNCCCC(=O)N(C)CC(C)C |
| InChI | InChI=1S/C11H24N2O/c1-5-12-8-6-7-11(14)13(4)9-10(2)3/h10,12H,5-9H2,1-4H3 |
| InChIKey | HYSPGNWJRVLLPJ-UHFFFAOYSA-N |
| XLogP | 1.49 |
| TPSA | 32.34 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 200.33 |
| LogP ≤ 5 | 1.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide (CID 155599481) is 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide is CCNCCCC(=O)N(C)CC(C)C.
What is the InChIKey of 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is HYSPGNWJRVLLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-12-8-6-7-11(14)13(4)9-10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 200.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 155599481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).