About N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide
N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide (PubChem CID 608192) has the molecular formula C20H40N2O3
and a molecular weight of 356.55 g/mol. Its IUPAC name is N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide.
Molecular Properties
| Compound Name | N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide |
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| PubChem CID | 608192 |
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| Molecular Formula | C20H40N2O3 |
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| Molecular Weight | 356.55 g/mol |
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| Exact Mass | 356.30 |
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| IUPAC Name | N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide |
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| SMILES | CCCCCCCN(C)C(=O)CC(O)C(=O)N(C)CCCCCCC |
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| InChI | InChI=1S/C20H40N2O3/c1-5-7-9-11-13-15-21(3)19(24)17-18(23)20(25)22(4)16-14-12-10-8-6-2/h18,23H,5-17H2,1-4H3 |
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| InChIKey | QPJQNVHYGQFTRH-UHFFFAOYSA-N |
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| XLogP | 3.60 |
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| TPSA | 60.85 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 356.55 |
| LogP ≤ 5 | 3.60 |
| 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 N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide?
The IUPAC name of N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide (CID 608192) is N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide.
What is the SMILES notation for N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide?
The canonical SMILES for N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide is CCCCCCCN(C)C(=O)CC(O)C(=O)N(C)CCCCCCC.
What is the InChIKey of N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide?
The InChIKey is QPJQNVHYGQFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-5-7-9-11-13-15-21(3)19(24)17-18(23)20(25)22(4)16-14-12-10-8-6-2/h18,23H,5-17H2,1-4H3.
What are the key properties of N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide?
N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide has a molecular weight of 356.55 g/mol, XLogP of 3.60, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diheptyl-2-hydroxy-N,N'-dimethylbutanediamide is sourced from PubChem (CID 608192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).