About N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide (PubChem CID 148832153) has the molecular formula C20H33N5O6
and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide |
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| PubChem CID | 148832153 |
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| Molecular Formula | C20H33N5O6 |
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| Molecular Weight | 439.51 g/mol |
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| Exact Mass | 439.24 |
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| IUPAC Name | N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide |
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| SMILES | CCCC(NC(=O)C1CC(=O)CN1C)C(O)C(=O)NCC(=O)NC1(C(=O)N(C)C)CC1 |
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| InChI | InChI=1S/C20H33N5O6/c1-5-6-13(22-17(29)14-9-12(26)11-25(14)4)16(28)18(30)21-10-15(27)23-20(7-8-20)19(31)24(2)3/h13-14,16,28H,5-11H2,1-4H3,(H,21,30)(H,22,29)(H,23,27) |
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| InChIKey | OTWQQWYEXYEVMK-UHFFFAOYSA-N |
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| XLogP | -2.24 |
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| TPSA | 148.15 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 31 |
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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 | 439.51 |
| LogP ≤ 5 | -2.24 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide (CID 148832153) is N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide is CCCC(NC(=O)C1CC(=O)CN1C)C(O)C(=O)NCC(=O)NC1(C(=O)N(C)C)CC1.
What is the InChIKey of N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
The InChIKey is OTWQQWYEXYEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O6/c1-5-6-13(22-17(29)14-9-12(26)11-25(14)4)16(28)18(30)21-10-15(27)23-20(7-8-20)19(31)24(2)3/h13-14,16,28H,5-11H2,1-4H3,(H,21,30)(H,22,29)(H,23,27).
What are the key properties of N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?
N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide has a molecular weight of 439.51 g/mol, XLogP of -2.24, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 148832153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).