About 5-methoxy-N-(2-methoxyethyl)pentanamide
5-methoxy-N-(2-methoxyethyl)pentanamide (PubChem CID 58281484) has the molecular formula C9H19NO3
and a molecular weight of 189.25 g/mol. Its IUPAC name is 5-methoxy-N-(2-methoxyethyl)pentanamide.
Molecular Properties
| Compound Name | 5-methoxy-N-(2-methoxyethyl)pentanamide |
| PubChem CID | 58281484 |
| Molecular Formula | C9H19NO3 |
| Molecular Weight | 189.25 g/mol |
| Exact Mass | 189.14 |
| IUPAC Name | 5-methoxy-N-(2-methoxyethyl)pentanamide |
| SMILES | COCCCCC(=O)NCCOC |
| InChI | InChI=1S/C9H19NO3/c1-12-7-4-3-5-9(11)10-6-8-13-2/h3-8H2,1-2H3,(H,10,11) |
| InChIKey | DCBDRILBTGCPKU-UHFFFAOYSA-N |
| XLogP | 0.57 |
| TPSA | 47.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 189.25 |
| LogP ≤ 5 | 0.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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 5-methoxy-N-(2-methoxyethyl)pentanamide?
The IUPAC name of 5-methoxy-N-(2-methoxyethyl)pentanamide (CID 58281484) is 5-methoxy-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for 5-methoxy-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for 5-methoxy-N-(2-methoxyethyl)pentanamide is COCCCCC(=O)NCCOC.
What is the InChIKey of 5-methoxy-N-(2-methoxyethyl)pentanamide?
The InChIKey is DCBDRILBTGCPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-12-7-4-3-5-9(11)10-6-8-13-2/h3-8H2,1-2H3,(H,10,11).
What are the key properties of 5-methoxy-N-(2-methoxyethyl)pentanamide?
5-methoxy-N-(2-methoxyethyl)pentanamide has a molecular weight of 189.25 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 58281484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).