tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate

C49H57NO4Si2 — CID 10440239

IUPACtert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C49H57NO4Si2/c1-47(2,3)53-46(51)50(10)44-35-45(54-56(49(7,8)9,39-29-19-13-20-30-39)40-31-21-14-22-32-40)42-34-24-23-33-41(42)43(44)36-52-55(48(4,5)6,37-25-15-11-16-26-37)38-27-17-12-18-28-38/h11-35H,36H2,1-10H3
InChIKeyLQBSIQFVEUPZKF-UHFFFAOYSA-N
MW780.17 g/mol
LogP10.23
Rot. Bonds10

About tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate

tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate (PubChem CID 10440239) has the molecular formula C49H57NO4Si2 and a molecular weight of 780.17 g/mol. Its IUPAC name is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate
PubChem CID10440239
Molecular FormulaC49H57NO4Si2
Molecular Weight780.17 g/mol
Exact Mass779.38
IUPAC Nametert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C49H57NO4Si2/c1-47(2,3)53-46(51)50(10)44-35-45(54-56(49(7,8)9,39-29-19-13-20-30-39)40-31-21-14-22-32-40)42-34-24-23-33-41(42)43(44)36-52-55(48(4,5)6,37-25-15-11-16-26-37)38-27-17-12-18-28-38/h11-35H,36H2,1-10H3
InChIKeyLQBSIQFVEUPZKF-UHFFFAOYSA-N
XLogP10.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.17
LogP ≤ 510.23
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

2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 10720224
tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 71489209
tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate
CID 59734160
benzyl 5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 123263699
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl N-[1-benzyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-1-ium-4-yl]carbamate
CID 142425883
tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 170594522
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylate
CID 155592472
[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 10506331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate (CID 10440239) is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate?
The InChIKey is LQBSIQFVEUPZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H57NO4Si2/c1-47(2,3)53-46(51)50(10)44-35-45(54-56(49(7,8)9,39-29-19-13-20-30-39)40-31-21-14-22-32-40)42-34-24-23-33-41(42)43(44)36-52-55(48(4,5)6,37-25-15-11-16-26-37)38-27-17-12-18-28-38/h11-35H,36H2,1-10H3.
What are the key properties of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate?
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate has a molecular weight of 780.17 g/mol, XLogP of 10.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate is sourced from PubChem (CID 10440239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).