About (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide
(2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide (PubChem CID 10478481) has the molecular formula C24H31N3O5
and a molecular weight of 441.53 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide.
Molecular Properties
| Compound Name | (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide |
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| PubChem CID | 10478481 |
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| Molecular Formula | C24H31N3O5 |
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| Molecular Weight | 441.53 g/mol |
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| Exact Mass | 441.23 |
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| IUPAC Name | (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide |
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| SMILES | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO |
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| InChI | InChI=1S/C24H31N3O5/c1-25-24(30)21(15-18-9-4-2-5-10-18)26-23(29)20(16-22(28)27-31)13-8-14-32-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,31H,8,13-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1 |
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| InChIKey | MJERYQQJZATKQA-RTWAWAEBSA-N |
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| XLogP | 1.97 |
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| TPSA | 116.76 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 32 |
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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 | 441.53 |
| LogP ≤ 5 | 1.97 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide (CID 10478481) is (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide is CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO.
What is the InChIKey of (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide?
The InChIKey is MJERYQQJZATKQA-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-25-24(30)21(15-18-9-4-2-5-10-18)26-23(29)20(16-22(28)27-31)13-8-14-32-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,31H,8,13-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide?
(2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide has a molecular weight of 441.53 g/mol, XLogP of 1.97, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-phenylmethoxypropyl)butanediamide is sourced from PubChem (CID 10478481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).