About N,N-dimethylhexadecanamide
N,N-dimethylhexadecanamide (PubChem CID 19766) has the molecular formula C18H37NO
and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N-dimethylhexadecanamide.
Molecular Properties
| Compound Name | N,N-dimethylhexadecanamide |
| PubChem CID | 19766 |
| Molecular Formula | C18H37NO |
| Molecular Weight | 283.50 g/mol |
| Exact Mass | 283.29 |
| IUPAC Name | N,N-dimethylhexadecanamide |
| SMILES | CCCCCCCCCCCCCCCC(=O)N(C)C |
| InChI | InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(2)3/h4-17H2,1-3H3 |
| InChIKey | UOYBMZNFJUBBNU-UHFFFAOYSA-N |
| XLogP | 5.56 |
| TPSA | 20.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 283.50 |
| LogP ≤ 5 | 5.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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,N-dimethylhexadecanamide?
The IUPAC name of N,N-dimethylhexadecanamide (CID 19766) is N,N-dimethylhexadecanamide.
What is the SMILES notation for N,N-dimethylhexadecanamide?
The canonical SMILES for N,N-dimethylhexadecanamide is CCCCCCCCCCCCCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethylhexadecanamide?
The InChIKey is UOYBMZNFJUBBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(2)3/h4-17H2,1-3H3.
What are the key properties of N,N-dimethylhexadecanamide?
N,N-dimethylhexadecanamide has a molecular weight of 283.50 g/mol, XLogP of 5.56, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhexadecanamide is sourced from PubChem (CID 19766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).