About 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide (PubChem CID 106237751) has the molecular formula C14H30N2O5
and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide.
Molecular Properties
| Compound Name | 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide |
| PubChem CID | 106237751 |
| Molecular Formula | C14H30N2O5 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.22 |
| IUPAC Name | 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide |
| SMILES | CCCCOCCOCCOCCNCCOCC(N)=O |
| InChI | InChI=1S/C14H30N2O5/c1-2-3-6-18-9-11-20-12-10-19-7-4-16-5-8-21-13-14(15)17/h16H,2-13H2,1H3,(H2,15,17) |
| InChIKey | NANWHLBBYWGQCD-UHFFFAOYSA-N |
| XLogP | -0.07 |
| TPSA | 92.04 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 306.40 |
| LogP ≤ 5 | -0.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide (CID 106237751) is 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide is CCCCOCCOCCOCCNCCOCC(N)=O.
What is the InChIKey of 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide?
The InChIKey is NANWHLBBYWGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O5/c1-2-3-6-18-9-11-20-12-10-19-7-4-16-5-8-21-13-14(15)17/h16H,2-13H2,1H3,(H2,15,17).
What are the key properties of 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide?
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide has a molecular weight of 306.40 g/mol, XLogP of -0.07, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide is sourced from PubChem (CID 106237751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).