3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide

C44H83NO6Si — CID 101491478

IUPAC3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide
SMILESCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCC)cc(C(=O)NCCC[Si](OCC)(OCC)OCC)c1
InChIInChI=1S/C44H83NO6Si/c1-6-11-13-15-17-19-21-23-25-27-29-31-35-47-42-38-41(44(46)45-34-33-37-52(49-8-3,50-9-4)51-10-5)39-43(40-42)48-36-32-30-28-26-24-22-20-18-16-14-12-7-2/h38-40H,6-37H2,1-5H3,(H,45,46)
InChIKeyIWRYDEJZTGKCNA-UHFFFAOYSA-N
MW750.24 g/mol
LogP13.01
Rot. Bonds39

About 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide

3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide (PubChem CID 101491478) has the molecular formula C44H83NO6Si and a molecular weight of 750.24 g/mol. Its IUPAC name is 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide.

Molecular Properties

Compound Name3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide
PubChem CID101491478
Molecular FormulaC44H83NO6Si
Molecular Weight750.24 g/mol
Exact Mass749.60
IUPAC Name3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide
SMILESCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCC)cc(C(=O)NCCC[Si](OCC)(OCC)OCC)c1
InChIInChI=1S/C44H83NO6Si/c1-6-11-13-15-17-19-21-23-25-27-29-31-35-47-42-38-41(44(46)45-34-33-37-52(49-8-3,50-9-4)51-10-5)39-43(40-42)48-36-32-30-28-26-24-22-20-18-16-14-12-7-2/h38-40H,6-37H2,1-5H3,(H,45,46)
InChIKeyIWRYDEJZTGKCNA-UHFFFAOYSA-N
XLogP13.01
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds39
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.24
LogP ≤ 513.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
4-butoxy-N-hexadecylbenzamide
CID 4936106
methyl 3,5-di(nonoxy)benzoate
CID 69305989
methyl 3-pentadecoxy-5-undecoxybenzoate
CID 166142932
1-[3,5-di(pentadecoxy)phenyl]ethanone
CID 70379796
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
(3-triethoxysilylpropylamino) (E)-3-(4-tetradecoxyphenyl)prop-2-enoate
CID 102012373
N-[3-[3-[[3,5-bis[(3,4-didodecoxyphenyl)methoxy]benzoyl]amino]propylamino]propyl]-3,5-bis[(3,4-didodecoxyphenyl)methoxy]benzamide
CID 102473803
3,5-di(pentadecoxy)benzamide
CID 69275649
3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide
CID 102473799

Frequently Asked Questions

What is the IUPAC name of 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide?
The IUPAC name of 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide (CID 101491478) is 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide.
What is the SMILES notation for 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide?
The canonical SMILES for 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide is CCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCC)cc(C(=O)NCCC[Si](OCC)(OCC)OCC)c1.
What is the InChIKey of 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide?
The InChIKey is IWRYDEJZTGKCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H83NO6Si/c1-6-11-13-15-17-19-21-23-25-27-29-31-35-47-42-38-41(44(46)45-34-33-37-52(49-8-3,50-9-4)51-10-5)39-43(40-42)48-36-32-30-28-26-24-22-20-18-16-14-12-7-2/h38-40H,6-37H2,1-5H3,(H,45,46).
What are the key properties of 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide?
3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide has a molecular weight of 750.24 g/mol, XLogP of 13.01, 39 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide is sourced from PubChem (CID 101491478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).