About 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide
2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide (PubChem CID 63106262) has the molecular formula C9H18N2O3
and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide.
Molecular Properties
| Compound Name | 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide |
| PubChem CID | 63106262 |
| Molecular Formula | C9H18N2O3 |
| Molecular Weight | 202.25 g/mol |
| Exact Mass | 202.13 |
| IUPAC Name | 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide |
| SMILES | COCCNC(=O)C(C)OC1CNC1 |
| InChI | InChI=1S/C9H18N2O3/c1-7(14-8-5-10-6-8)9(12)11-3-4-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12) |
| InChIKey | SATNAIKSFAACOE-UHFFFAOYSA-N |
| XLogP | -0.87 |
| TPSA | 59.59 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 202.25 |
| LogP ≤ 5 | -0.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide (CID 63106262) is 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)OC1CNC1.
What is the InChIKey of 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is SATNAIKSFAACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(14-8-5-10-6-8)9(12)11-3-4-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide?
2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 202.25 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 63106262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).