N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide

C69H111NO5Si2 — CID 19755629

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide
SMILESCCCCCCCCCCCCCCCCOCC(CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CCCCCCCCCCCCCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C69H111NO5Si2/c1-8-9-10-11-12-13-14-15-19-22-25-28-31-46-58-73-61-62(75-77(69(5,6)7,65-51-40-34-41-52-65)66-53-42-35-43-54-66)60-70(67(72)55-44-29-26-23-20-17-16-18-21-24-27-30-45-57-71)56-59-74-76(68(2,3)4,63-47-36-32-37-48-63)64-49-38-33-39-50-64/h32-43,47-54,62,71H,8-31,44-46,55-61H2,1-7H3
InChIKeyMDPHYKIVJODECL-UHFFFAOYSA-N
MW1090.82 g/mol
LogP16.29
Rot. Bonds44

About N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide (PubChem CID 19755629) has the molecular formula C69H111NO5Si2 and a molecular weight of 1090.82 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide
PubChem CID19755629
Molecular FormulaC69H111NO5Si2
Molecular Weight1090.82 g/mol
Exact Mass1089.80
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide
SMILESCCCCCCCCCCCCCCCCOCC(CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CCCCCCCCCCCCCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C69H111NO5Si2/c1-8-9-10-11-12-13-14-15-19-22-25-28-31-46-58-73-61-62(75-77(69(5,6)7,65-51-40-34-41-52-65)66-53-42-35-43-54-66)60-70(67(72)55-44-29-26-23-20-17-16-18-21-24-27-30-45-57-71)56-59-74-76(68(2,3)4,63-47-36-32-37-48-63)64-49-38-33-39-50-64/h32-43,47-54,62,71H,8-31,44-46,55-61H2,1-7H3
InChIKeyMDPHYKIVJODECL-UHFFFAOYSA-N
XLogP16.29
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds44
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.82
LogP ≤ 516.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide (CID 19755629) is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide is CCCCCCCCCCCCCCCCOCC(CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CCCCCCCCCCCCCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide?
The InChIKey is MDPHYKIVJODECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H111NO5Si2/c1-8-9-10-11-12-13-14-15-19-22-25-28-31-46-58-73-61-62(75-77(69(5,6)7,65-51-40-34-41-52-65)66-53-42-35-43-54-66)60-70(67(72)55-44-29-26-23-20-17-16-18-21-24-27-30-45-57-71)56-59-74-76(68(2,3)4,63-47-36-32-37-48-63)64-49-38-33-39-50-64/h32-43,47-54,62,71H,8-31,44-46,55-61H2,1-7H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide?
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide has a molecular weight of 1090.82 g/mol, XLogP of 16.29, 44 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[2-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropyl]-16-hydroxyhexadecanamide is sourced from PubChem (CID 19755629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).