About N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 138656709) has the molecular formula C16H33NO6
and a molecular weight of 335.44 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide.
Molecular Properties
| Compound Name | N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide |
| PubChem CID | 138656709 |
| Molecular Formula | C16H33NO6 |
| Molecular Weight | 335.44 g/mol |
| Exact Mass | 335.23 |
| IUPAC Name | N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide |
| SMILES | COCCCOCCOCCOCCOCC(=O)NC(C)(C)C |
| InChI | InChI=1S/C16H33NO6/c1-16(2,3)17-15(18)14-23-13-12-22-11-10-21-9-8-20-7-5-6-19-4/h5-14H2,1-4H3,(H,17,18) |
| InChIKey | ZPMVDUYYTAECCL-UHFFFAOYSA-N |
| XLogP | 1.00 |
| TPSA | 75.25 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 335.44 |
| LogP ≤ 5 | 1.00 |
| H-Bond Donors ≤ 5 | 1 |
| 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 N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide (CID 138656709) is N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide is COCCCOCCOCCOCCOCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is ZPMVDUYYTAECCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO6/c1-16(2,3)17-15(18)14-23-13-12-22-11-10-21-9-8-20-7-5-6-19-4/h5-14H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 335.44 g/mol, XLogP of 1.00, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 138656709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).