About N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 168911412) has the molecular formula C19H35N5O5
and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide |
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| PubChem CID | 168911412 |
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| Molecular Formula | C19H35N5O5 |
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| Molecular Weight | 413.52 g/mol |
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| Exact Mass | 413.26 |
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| IUPAC Name | N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide |
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| SMILES | CCNC(=O)CNC(=O)C(COCC(C)C)NC(=O)CNC(=O)C1CCCN1C |
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| InChI | InChI=1S/C19H35N5O5/c1-5-20-16(25)9-21-18(27)14(12-29-11-13(2)3)23-17(26)10-22-19(28)15-7-6-8-24(15)4/h13-15H,5-12H2,1-4H3,(H,20,25)(H,21,27)(H,22,28)(H,23,26) |
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| InChIKey | XSUUXESAGKCZID-UHFFFAOYSA-N |
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| XLogP | -1.39 |
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| TPSA | 128.87 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 29 |
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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 | 413.52 |
| LogP ≤ 5 | -1.39 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide (CID 168911412) is N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide is CCNC(=O)CNC(=O)C(COCC(C)C)NC(=O)CNC(=O)C1CCCN1C.
What is the InChIKey of N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is XSUUXESAGKCZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O5/c1-5-20-16(25)9-21-18(27)14(12-29-11-13(2)3)23-17(26)10-22-19(28)15-7-6-8-24(15)4/h13-15H,5-12H2,1-4H3,(H,20,25)(H,21,27)(H,22,28)(H,23,26).
What are the key properties of N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of -1.39, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 168911412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).