About N,N'-dimethyl-N,N'-dioctylpropanediamide
N,N'-dimethyl-N,N'-dioctylpropanediamide (PubChem CID 13398905) has the molecular formula C21H42N2O2
and a molecular weight of 354.58 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-dioctylpropanediamide.
Molecular Properties
| Compound Name | N,N'-dimethyl-N,N'-dioctylpropanediamide |
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| PubChem CID | 13398905 |
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| Molecular Formula | C21H42N2O2 |
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| Molecular Weight | 354.58 g/mol |
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| Exact Mass | 354.32 |
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| IUPAC Name | N,N'-dimethyl-N,N'-dioctylpropanediamide |
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| SMILES | CCCCCCCCN(C)C(=O)CC(=O)N(C)CCCCCCCC |
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| InChI | InChI=1S/C21H42N2O2/c1-5-7-9-11-13-15-17-22(3)20(24)19-21(25)23(4)18-16-14-12-10-8-6-2/h5-19H2,1-4H3 |
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| InChIKey | UBGCCBQQNSSDHM-UHFFFAOYSA-N |
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| XLogP | 5.01 |
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| TPSA | 40.62 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 354.58 |
| LogP ≤ 5 | 5.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N,N'-dimethyl-N,N'-dioctylpropanediamide?
The IUPAC name of N,N'-dimethyl-N,N'-dioctylpropanediamide (CID 13398905) is N,N'-dimethyl-N,N'-dioctylpropanediamide.
What is the SMILES notation for N,N'-dimethyl-N,N'-dioctylpropanediamide?
The canonical SMILES for N,N'-dimethyl-N,N'-dioctylpropanediamide is CCCCCCCCN(C)C(=O)CC(=O)N(C)CCCCCCCC.
What is the InChIKey of N,N'-dimethyl-N,N'-dioctylpropanediamide?
The InChIKey is UBGCCBQQNSSDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-5-7-9-11-13-15-17-22(3)20(24)19-21(25)23(4)18-16-14-12-10-8-6-2/h5-19H2,1-4H3.
What are the key properties of N,N'-dimethyl-N,N'-dioctylpropanediamide?
N,N'-dimethyl-N,N'-dioctylpropanediamide has a molecular weight of 354.58 g/mol, XLogP of 5.01, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-dioctylpropanediamide is sourced from PubChem (CID 13398905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).