About 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 14371802) has the molecular formula C11H18N2O3
and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.
Molecular Properties
| Compound Name | 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione |
| PubChem CID | 14371802 |
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.28 g/mol |
| Exact Mass | 226.13 |
| IUPAC Name | 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione |
| SMILES | CCON1C(=O)CC2(CCN(C)CC2)C1=O |
| InChI | InChI=1S/C11H18N2O3/c1-3-16-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11/h3-8H2,1-2H3 |
| InChIKey | AYTRBRWZHAPQMT-UHFFFAOYSA-N |
| XLogP | 0.41 |
| TPSA | 49.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.28 |
| LogP ≤ 5 | 0.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (CID 14371802) is 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is CCON1C(=O)CC2(CCN(C)CC2)C1=O.
What is the InChIKey of 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is AYTRBRWZHAPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-16-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11/h3-8H2,1-2H3.
What are the key properties of 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 226.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 14371802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).