2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate

C24H34N2O6Si — CID 170690934

IUPAC2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCC[Si](CCOC(=O)N(C)CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34N2O6Si/c1-25(13-15-27)23(29)31-17-19-33(21-9-5-3-6-10-21,22-11-7-4-8-12-22)20-18-32-24(30)26(2)14-16-28/h3-12,27-28H,13-20H2,1-2H3
InChIKeyNMTNEZGWOJTBBE-UHFFFAOYSA-N
MW474.63 g/mol
LogP1.37
Rot. Bonds12

About 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate

2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 170690934) has the molecular formula C24H34N2O6Si and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate
PubChem CID170690934
Molecular FormulaC24H34N2O6Si
Molecular Weight474.63 g/mol
Exact Mass474.22
IUPAC Name2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCC[Si](CCOC(=O)N(C)CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34N2O6Si/c1-25(13-15-27)23(29)31-17-19-33(21-9-5-3-6-10-21,22-11-7-4-8-12-22)20-18-32-24(30)26(2)14-16-28/h3-12,27-28H,13-20H2,1-2H3
InChIKeyNMTNEZGWOJTBBE-UHFFFAOYSA-N
XLogP1.37
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 170690934) is 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OCC[Si](CCOC(=O)N(C)CCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is NMTNEZGWOJTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6Si/c1-25(13-15-27)23(29)31-17-19-33(21-9-5-3-6-10-21,22-11-7-4-8-12-22)20-18-32-24(30)26(2)14-16-28/h3-12,27-28H,13-20H2,1-2H3.
What are the key properties of 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 474.63 g/mol, XLogP of 1.37, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl-diphenylsilyl]ethyl N-(2-hydroxyethyl)-N-methylcarbamate is sourced from PubChem (CID 170690934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).