About 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide (PubChem CID 59939807) has the molecular formula C20H37N5O5
and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide.
Molecular Properties
| Compound Name | 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide |
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| PubChem CID | 59939807 |
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| Molecular Formula | C20H37N5O5 |
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| Molecular Weight | 427.55 g/mol |
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| Exact Mass | 427.28 |
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| IUPAC Name | 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide |
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| SMILES | CC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C |
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| InChI | InChI=1S/C20H37N5O5/c1-11(19(29)24(9)13(3)16(6)26)22-18(28)15(5)25(10)20(30)12(2)21-17(27)14(4)23(7)8/h11-15H,1-10H3,(H,21,27)(H,22,28) |
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| InChIKey | PYNQEHUQLOFPMA-UHFFFAOYSA-N |
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| XLogP | -0.77 |
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| TPSA | 119.13 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 427.55 |
| LogP ≤ 5 | -0.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide (CID 59939807) is 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide is CC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is PYNQEHUQLOFPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O5/c1-11(19(29)24(9)13(3)16(6)26)22-18(28)15(5)25(10)20(30)12(2)21-17(27)14(4)23(7)8/h11-15H,1-10H3,(H,21,27)(H,22,28).
What are the key properties of 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 427.55 g/mol, XLogP of -0.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propanoylamino]-N-methyl-N-[1-[[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 59939807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).