tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate

C30H42FNO4Si — CID 177267151

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)Cc1ccc2cc(CCc3ccc(F)cc3)oc2c1
InChIInChI=1S/C30H42FNO4Si/c1-29(2,3)36-28(33)32(17-18-34-37(7,8)30(4,5)6)21-23-9-13-24-20-26(35-27(24)19-23)16-12-22-10-14-25(31)15-11-22/h9-11,13-15,19-20H,12,16-18,21H2,1-8H3
InChIKeyFPTSRYRYOXASRY-UHFFFAOYSA-N
MW527.75 g/mol
LogP8.12
Rot. Bonds9

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate (PubChem CID 177267151) has the molecular formula C30H42FNO4Si and a molecular weight of 527.75 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate
PubChem CID177267151
Molecular FormulaC30H42FNO4Si
Molecular Weight527.75 g/mol
Exact Mass527.29
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)Cc1ccc2cc(CCc3ccc(F)cc3)oc2c1
InChIInChI=1S/C30H42FNO4Si/c1-29(2,3)36-28(33)32(17-18-34-37(7,8)30(4,5)6)21-23-9-13-24-20-26(35-27(24)19-23)16-12-22-10-14-25(31)15-11-22/h9-11,13-15,19-20H,12,16-18,21H2,1-8H3
InChIKeyFPTSRYRYOXASRY-UHFFFAOYSA-N
XLogP8.12
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.75
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-bromo-1-benzofuran-6-yl)methyl]-N-(2-butoxyethyl)carbamate
CID 177266938
tert-butyl 2-[3-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]propoxy]acetate
CID 177267129
tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 18933288
tert-butyl 9-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]nonanoate;ethane
CID 177320325
tert-butyl N-(2-butoxyethyl)-N-[[2-(phenylsulfamoyl)-1-benzofuran-6-yl]methyl]carbamate
CID 177267059
ethane;4-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxymethyl]benzaldehyde;2-methoxy-2-methylpropane
CID 177320458
tert-butyl N-[2-[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxypyran-2-carbonyl]-[(4-fluorophenyl)methyl]amino]ethyl]carbamate
CID 87714235
tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
CID 18933347
10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
CID 10718218
ethyl 2-(methylamino)acetate;2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]acetaldehyde
CID 177320453
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
CID 166176544
N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide
CID 177320378

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate (CID 177267151) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate is CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)Cc1ccc2cc(CCc3ccc(F)cc3)oc2c1.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate?
The InChIKey is FPTSRYRYOXASRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FNO4Si/c1-29(2,3)36-28(33)32(17-18-34-37(7,8)30(4,5)6)21-23-9-13-24-20-26(35-27(24)19-23)16-12-22-10-14-25(31)15-11-22/h9-11,13-15,19-20H,12,16-18,21H2,1-8H3.
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate has a molecular weight of 527.75 g/mol, XLogP of 8.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methyl]carbamate is sourced from PubChem (CID 177267151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).