benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate

C23H38N2O5Si — CID 142754448

IUPACbenzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCCOC(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H38N2O5Si/c1-23(2,3)31(4,5)30-16-15-28-21(26)24-19-11-13-20(14-12-19)25-22(27)29-17-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyADIXGFGJCQXONG-UHFFFAOYSA-N
MW450.65 g/mol
LogP4.97
Rot. Bonds8

About benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate

benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate (PubChem CID 142754448) has the molecular formula C23H38N2O5Si and a molecular weight of 450.65 g/mol. Its IUPAC name is benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
PubChem CID142754448
Molecular FormulaC23H38N2O5Si
Molecular Weight450.65 g/mol
Exact Mass450.25
IUPAC Namebenzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCCOC(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H38N2O5Si/c1-23(2,3)31(4,5)30-16-15-28-21(26)24-19-11-13-20(14-12-19)25-22(27)29-17-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyADIXGFGJCQXONG-UHFFFAOYSA-N
XLogP4.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 54.97
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

benzyl N-[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]carbamate
CID 148595263
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-[(1S,3R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylseleninylcyclohept-4-en-1-yl]carbamate
CID 11757189
benzyl N-[(1S,3R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylselanylcyclohept-4-en-1-yl]carbamate
CID 10437033
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate (CID 142754448) is benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate is CC(C)(C)[Si](C)(C)OCCOC(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate?
The InChIKey is ADIXGFGJCQXONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O5Si/c1-23(2,3)31(4,5)30-16-15-28-21(26)24-19-11-13-20(14-12-19)25-22(27)29-17-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate?
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate has a molecular weight of 450.65 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate is sourced from PubChem (CID 142754448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).