2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate

C25H47NO4Si2 — CID 91749316

IUPAC2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate
SMILESCC(C)COC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H47NO4Si2/c1-19(2)18-28-23(27)26-17-22(30-32(11,12)25(6,7)8)20-13-15-21(16-14-20)29-31(9,10)24(3,4)5/h13-16,19,22H,17-18H2,1-12H3,(H,26,27)
InChIKeyJWZDTDRIMOJIER-UHFFFAOYSA-N
MW481.83 g/mol
LogP7.52
Rot. Bonds9

About 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate

2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate (PubChem CID 91749316) has the molecular formula C25H47NO4Si2 and a molecular weight of 481.83 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate
PubChem CID91749316
Molecular FormulaC25H47NO4Si2
Molecular Weight481.83 g/mol
Exact Mass481.30
IUPAC Name2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate
SMILESCC(C)COC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H47NO4Si2/c1-19(2)18-28-23(27)26-17-22(30-32(11,12)25(6,7)8)20-13-15-21(16-14-20)29-31(9,10)24(3,4)5/h13-16,19,22H,17-18H2,1-12H3,(H,26,27)
InChIKeyJWZDTDRIMOJIER-UHFFFAOYSA-N
XLogP7.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.83
LogP ≤ 57.52
H-Bond Donors ≤ 51
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-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamate
CID 15631602
((1R,2R)-1-{2-[4-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-ethyl}-2-hydroxy-1-methyl-propyl)-carbamic acid tert-butyl ester
CID 67100017
Octopamine, N-TFA-O-TMS
CID 6428508
p-Hydroxynorephedrine, N-TFA-O-TMS
CID 6428510
Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-[2-[(trimethylsilyl)oxy]-2-[4-[(trimethylsilyl)oxy]phenyl]ethyl]-
CID 622426
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorophenyl]-3-hydroxypropan-2-yl]carbamate
CID 166025597
[(1R,2S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorophenyl]-1-hydroxypropan-2-yl]carbamic acid
CID 174188985
1-(4-tert-Butyldimethylsilyloxyphenyl)-2-tert-butyldimethylsilylaminoethanol, tert-butyldimethylsilyl ether
CID 91718597
1-(4-Trimethylsilyloxyphenyl)-2-trimethylsilylaminoethanol trimethylsilyl ether
CID 91739849
p-(tert-Butyldimethylsilyloxy)phenyl-O-(tert-butyldimethylsilyl)ethanolamine
CID 91743544
1-(4-tert-Butyldimethylsilyloxyphenyl)-2-acetylaminoethanol t-butyldimethylsilyl ether
CID 91743545
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
CID 12038429

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate (CID 91749316) is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate is CC(C)COC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate?
The InChIKey is JWZDTDRIMOJIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO4Si2/c1-19(2)18-28-23(27)26-17-22(30-32(11,12)25(6,7)8)20-13-15-21(16-14-20)29-31(9,10)24(3,4)5/h13-16,19,22H,17-18H2,1-12H3,(H,26,27).
What are the key properties of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate?
2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate has a molecular weight of 481.83 g/mol, XLogP of 7.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]carbamate is sourced from PubChem (CID 91749316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).