2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate

C21H42N2O5Si — CID 67191992

IUPAC2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate
SMILESCN(C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C21H42N2O5Si/c1-21(2,3)28-19(25)22-17(18(24)16-11-9-8-10-12-16)15-23(4)20(26)27-13-14-29(5,6)7/h16-18,24H,8-15H2,1-7H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyFQTSAYRXGNEFGC-QZTJIDSGSA-N
MW430.66 g/mol
LogP4.23
Rot. Bonds8

About 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate

2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate (PubChem CID 67191992) has the molecular formula C21H42N2O5Si and a molecular weight of 430.66 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate
PubChem CID67191992
Molecular FormulaC21H42N2O5Si
Molecular Weight430.66 g/mol
Exact Mass430.29
IUPAC Name2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate
SMILESCN(C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1CCCCC1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C21H42N2O5Si/c1-21(2,3)28-19(25)22-17(18(24)16-11-9-8-10-12-16)15-23(4)20(26)27-13-14-29(5,6)7/h16-18,24H,8-15H2,1-7H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyFQTSAYRXGNEFGC-QZTJIDSGSA-N
XLogP4.23
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate (CID 67191992) is 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate is CN(C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1CCCCC1)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate?
The InChIKey is FQTSAYRXGNEFGC-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H42N2O5Si/c1-21(2,3)28-19(25)22-17(18(24)16-11-9-8-10-12-16)15-23(4)20(26)27-13-14-29(5,6)7/h16-18,24H,8-15H2,1-7H3,(H,22,25)/t17-,18-/m1/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate?
2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate has a molecular weight of 430.66 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2R,3R)-3-cyclohexyl-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 67191992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).