N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide

C61H112N2O5Si3 — CID 156755674

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(CCO[Si](C)(C)C)CC(CN(CCO[Si](C)(C)C)C(=O)CCCCCCCCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C61H112N2O5Si3/c1-12-14-16-18-20-22-24-26-28-30-32-34-42-48-59(64)62(50-52-66-69(6,7)8)54-56(68-71(61(3,4)5,57-44-38-36-39-45-57)58-46-40-37-41-47-58)55-63(51-53-67-70(9,10)11)60(65)49-43-35-33-31-29-27-25-23-21-19-17-15-13-2/h36-41,44-47,56H,12-35,42-43,48-55H2,1-11H3
InChIKeyZLSPJUTUPZLISN-UHFFFAOYSA-N
MW1037.83 g/mol
LogP16.25
Rot. Bonds44

About N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide

N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide (PubChem CID 156755674) has the molecular formula C61H112N2O5Si3 and a molecular weight of 1037.83 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide
PubChem CID156755674
Molecular FormulaC61H112N2O5Si3
Molecular Weight1037.83 g/mol
Exact Mass1036.79
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(CCO[Si](C)(C)C)CC(CN(CCO[Si](C)(C)C)C(=O)CCCCCCCCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C61H112N2O5Si3/c1-12-14-16-18-20-22-24-26-28-30-32-34-42-48-59(64)62(50-52-66-69(6,7)8)54-56(68-71(61(3,4)5,57-44-38-36-39-45-57)58-46-40-37-41-47-58)55-63(51-53-67-70(9,10)11)60(65)49-43-35-33-31-29-27-25-23-21-19-17-15-13-2/h36-41,44-47,56H,12-35,42-43,48-55H2,1-11H3
InChIKeyZLSPJUTUPZLISN-UHFFFAOYSA-N
XLogP16.25
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds44
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.83
LogP ≤ 516.25
H-Bond Donors ≤ 50
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

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 10863293
4-[Tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 85293305
CID 176433657
CID 176433657
N,N-diethyl-7,7-bis(phenylsilyl)heptanamide
CID 150989584
2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide
CID 156692649
7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide
CID 175084907
[3-[2-[Tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-[8-(dioctylamino)-8-oxooctanoyl]oxypropyl] 8-(dioctylamino)-8-oxooctanoate
CID 175625590
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-5-enamide
CID 10550232
4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethylpentanamide
CID 10574511
(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-5-enamide
CID 15527220
N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide
CID 177482833

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide (CID 156755674) is N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)N(CCO[Si](C)(C)C)CC(CN(CCO[Si](C)(C)C)C(=O)CCCCCCCCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide?
The InChIKey is ZLSPJUTUPZLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H112N2O5Si3/c1-12-14-16-18-20-22-24-26-28-30-32-34-42-48-59(64)62(50-52-66-69(6,7)8)54-56(68-71(61(3,4)5,57-44-38-36-39-45-57)58-46-40-37-41-47-58)55-63(51-53-67-70(9,10)11)60(65)49-43-35-33-31-29-27-25-23-21-19-17-15-13-2/h36-41,44-47,56H,12-35,42-43,48-55H2,1-11H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide?
N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide has a molecular weight of 1037.83 g/mol, XLogP of 16.25, 44 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide is sourced from PubChem (CID 156755674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).