About 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 115666547) has the molecular formula C10H22N2O3
and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide.
Molecular Properties
| Compound Name | 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide |
| PubChem CID | 115666547 |
| Molecular Formula | C10H22N2O3 |
| Molecular Weight | 218.30 g/mol |
| Exact Mass | 218.16 |
| IUPAC Name | 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide |
| SMILES | CCN(CCCO)CC(=O)NCCOC |
| InChI | InChI=1S/C10H22N2O3/c1-3-12(6-4-7-13)9-10(14)11-5-8-15-2/h13H,3-9H2,1-2H3,(H,11,14) |
| InChIKey | ILPSVLKNGWDOJU-UHFFFAOYSA-N |
| XLogP | -0.55 |
| TPSA | 61.80 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 218.30 |
| LogP ≤ 5 | -0.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide 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-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide (CID 115666547) is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide is CCN(CCCO)CC(=O)NCCOC.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ILPSVLKNGWDOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-12(6-4-7-13)9-10(14)11-5-8-15-2/h13H,3-9H2,1-2H3,(H,11,14).
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 218.30 g/mol, XLogP of -0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115666547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).