2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate

C22H35ClN2O5Si — CID 156862428

IUPAC2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2c(c1Cl)CC(NC(=O)OCC[Si](C)(C)C)C2
InChIInChI=1S/C22H35ClN2O5Si/c1-22(2,3)30-20(26)24-9-10-28-18-8-7-15-13-16(14-17(15)19(18)23)25-21(27)29-11-12-31(4,5)6/h7-8,16H,9-14H2,1-6H3,(H,24,26)(H,25,27)
InChIKeySUCARWPONCUODR-UHFFFAOYSA-N
MW471.07 g/mol
LogP4.78
Rot. Bonds8

About 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate

2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 156862428) has the molecular formula C22H35ClN2O5Si and a molecular weight of 471.07 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID156862428
Molecular FormulaC22H35ClN2O5Si
Molecular Weight471.07 g/mol
Exact Mass470.20
IUPAC Name2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2c(c1Cl)CC(NC(=O)OCC[Si](C)(C)C)C2
InChIInChI=1S/C22H35ClN2O5Si/c1-22(2,3)30-20(26)24-9-10-28-18-8-7-15-13-16(14-17(15)19(18)23)25-21(27)29-11-12-31(4,5)6/h7-8,16H,9-14H2,1-6H3,(H,24,26)(H,25,27)
InChIKeySUCARWPONCUODR-UHFFFAOYSA-N
XLogP4.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.07
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[[4-chloro-2-(2-trimethylsilylethoxycarbonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]carbamic acid
CID 175351214
tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate
CID 162385011
tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
CID 156861889
tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate
CID 164539784
tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
CID 175662867
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
tert-butyl N-(4-fluoro-5-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 147682184
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
CID 142077539
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629
tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
CID 134180761
tert-butyl N-[2-(5-chloro-2-iodophenoxy)ethyl]carbamate
CID 175686847
tert-butyl N-[(3R,6S)-6-[2-(4-chlorophenoxy)ethylcarbamoyl]oxan-3-yl]carbamate
CID 150866994

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate (CID 156862428) is 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc2c(c1Cl)CC(NC(=O)OCC[Si](C)(C)C)C2.
What is the InChIKey of 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is SUCARWPONCUODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN2O5Si/c1-22(2,3)30-20(26)24-9-10-28-18-8-7-15-13-16(14-17(15)19(18)23)25-21(27)29-11-12-31(4,5)6/h7-8,16H,9-14H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate?
2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 471.07 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 156862428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).