About N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane
N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane (PubChem CID 154659354) has the molecular formula C29H46N2O9
and a molecular weight of 566.69 g/mol. Its IUPAC name is N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane.
Molecular Properties
| Compound Name | N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane |
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| PubChem CID | 154659354 |
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| Molecular Formula | C29H46N2O9 |
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| Molecular Weight | 566.69 g/mol |
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| Exact Mass | 566.32 |
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| IUPAC Name | N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane |
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| SMILES | CCCOCCOCCOCCOCCOCCC.CNC(=O)CCC(C=O)N1C(=O)c2cccc(C)c2C1=O |
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| InChI | InChI=1S/C15H16N2O4.C14H30O5/c1-9-4-3-5-11-13(9)15(21)17(14(11)20)10(8-18)6-7-12(19)16-2;1-3-5-15-7-9-17-11-13-19-14-12-18-10-8-16-6-4-2/h3-5,8,10H,6-7H2,1-2H3,(H,16,19);3-14H2,1-2H3 |
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| InChIKey | KRRXXCXTIMXMJZ-UHFFFAOYSA-N |
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| XLogP | 2.57 |
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| TPSA | 129.70 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 566.69 |
| LogP ≤ 5 | 2.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
The IUPAC name of N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane (CID 154659354) is N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane.
What is the SMILES notation for N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
The canonical SMILES for N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane is CCCOCCOCCOCCOCCOCCC.CNC(=O)CCC(C=O)N1C(=O)c2cccc(C)c2C1=O.
What is the InChIKey of N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
The InChIKey is KRRXXCXTIMXMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4.C14H30O5/c1-9-4-3-5-11-13(9)15(21)17(14(11)20)10(8-18)6-7-12(19)16-2;1-3-5-15-7-9-17-11-13-19-14-12-18-10-8-16-6-4-2/h3-5,8,10H,6-7H2,1-2H3,(H,16,19);3-14H2,1-2H3.
What are the key properties of N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane has a molecular weight of 566.69 g/mol, XLogP of 2.57, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane is sourced from PubChem (CID 154659354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).