About N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide
N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 134562088) has the molecular formula C24H41N5O5
and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide.
Molecular Properties
| Compound Name | N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide |
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| PubChem CID | 134562088 |
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| Molecular Formula | C24H41N5O5 |
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| Molecular Weight | 479.62 g/mol |
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| Exact Mass | 479.31 |
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| IUPAC Name | N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide |
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| SMILES | CC(C)C(NC(=O)C1(NC(=O)N2CCCC2)CCCCC1)C(O)C(=O)N[C@H]1CCCCNC1=O |
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| InChI | InChI=1S/C24H41N5O5/c1-16(2)18(19(30)21(32)26-17-10-4-7-13-25-20(17)31)27-22(33)24(11-5-3-6-12-24)28-23(34)29-14-8-9-15-29/h16-19,30H,3-15H2,1-2H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t17-,18?,19?/m0/s1 |
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| InChIKey | NPPVABKEXUPIAF-VIQWUECVSA-N |
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| XLogP | 0.78 |
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| TPSA | 139.87 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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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 | 479.62 |
| LogP ≤ 5 | 0.78 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide (CID 134562088) is N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide is CC(C)C(NC(=O)C1(NC(=O)N2CCCC2)CCCCC1)C(O)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is NPPVABKEXUPIAF-VIQWUECVSA-N. The full InChI is InChI=1S/C24H41N5O5/c1-16(2)18(19(30)21(32)26-17-10-4-7-13-25-20(17)31)27-22(33)24(11-5-3-6-12-24)28-23(34)29-14-8-9-15-29/h16-19,30H,3-15H2,1-2H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t17-,18?,19?/m0/s1.
What are the key properties of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 0.78, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134562088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).