About N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide
N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 88666557) has the molecular formula C28H50N2O3Si
and a molecular weight of 490.81 g/mol. Its IUPAC name is N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide.
Molecular Properties
| Compound Name | N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide |
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| PubChem CID | 88666557 |
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| Molecular Formula | C28H50N2O3Si |
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| Molecular Weight | 490.81 g/mol |
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| Exact Mass | 490.36 |
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| IUPAC Name | N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide |
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| SMILES | CC(C)(C)ON(C=O)C(Cc1ccccc1)C(CNCC1CCCCC1)O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C28H50N2O3Si/c1-27(2,3)33-30(22-31)25(19-23-15-11-9-12-16-23)26(32-34(7,8)28(4,5)6)21-29-20-24-17-13-10-14-18-24/h9,11-12,15-16,22,24-26,29H,10,13-14,17-21H2,1-8H3 |
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| InChIKey | NBOWVCXTGSOUSD-UHFFFAOYSA-N |
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| XLogP | 6.35 |
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| TPSA | 50.80 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 490.81 |
| LogP ≤ 5 | 6.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 88666557) is N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)C(Cc1ccccc1)C(CNCC1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is NBOWVCXTGSOUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N2O3Si/c1-27(2,3)33-30(22-31)25(19-23-15-11-9-12-16-23)26(32-34(7,8)28(4,5)6)21-29-20-24-17-13-10-14-18-24/h9,11-12,15-16,22,24-26,29H,10,13-14,17-21H2,1-8H3.
What are the key properties of N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 490.81 g/mol, XLogP of 6.35, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(dimethyl)silyl]oxy-4-(cyclohexylmethylamino)-1-phenylbutan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 88666557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).