About 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate
2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 170690933) has the molecular formula C32H48N4O10Si
and a molecular weight of 676.84 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate.
Molecular Properties
| Compound Name | 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate |
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| PubChem CID | 170690933 |
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| Molecular Formula | C32H48N4O10Si |
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| Molecular Weight | 676.84 g/mol |
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| Exact Mass | 676.31 |
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| IUPAC Name | 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate |
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| SMILES | CN(CCO)C(=O)OCCN(C)C(=O)OCC[Si](CCOC(=O)N(C)CCOC(=O)N(C)CCO)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C32H48N4O10Si/c1-33(15-19-37)29(39)43-21-17-35(3)31(41)45-23-25-47(27-11-7-5-8-12-27,28-13-9-6-10-14-28)26-24-46-32(42)36(4)18-22-44-30(40)34(2)16-20-38/h5-14,37-38H,15-26H2,1-4H3 |
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| InChIKey | SGVPAMKSGDZKMA-UHFFFAOYSA-N |
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| XLogP | 1.51 |
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| TPSA | 158.62 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 47 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 676.84 |
| LogP ≤ 5 | 1.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 170690933) is 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OCCN(C)C(=O)OCC[Si](CCOC(=O)N(C)CCOC(=O)N(C)CCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is SGVPAMKSGDZKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N4O10Si/c1-33(15-19-37)29(39)43-21-17-35(3)31(41)45-23-25-47(27-11-7-5-8-12-27,28-13-9-6-10-14-28)26-24-46-32(42)36(4)18-22-44-30(40)34(2)16-20-38/h5-14,37-38H,15-26H2,1-4H3.
What are the key properties of 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 676.84 g/mol, XLogP of 1.51, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-methylcarbamoyl]oxyethyl-diphenylsilyl]ethoxycarbonyl-methylamino]ethyl N-(2-hydroxyethyl)-N-methylcarbamate is sourced from PubChem (CID 170690933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).