N-(3-triethoxysilylpropyl)butanamide

C13H29NO4Si — CID 20829613

IUPACN-(3-triethoxysilylpropyl)butanamide
SMILESCCCC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H29NO4Si/c1-5-10-13(15)14-11-9-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3,(H,14,15)
InChIKeyXIUBHQHXHGCQMC-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.34
Rot. Bonds12

About N-(3-triethoxysilylpropyl)butanamide

N-(3-triethoxysilylpropyl)butanamide (PubChem CID 20829613) has the molecular formula C13H29NO4Si and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(3-triethoxysilylpropyl)butanamide.

Molecular Properties

Compound NameN-(3-triethoxysilylpropyl)butanamide
PubChem CID20829613
Molecular FormulaC13H29NO4Si
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-(3-triethoxysilylpropyl)butanamide
SMILESCCCC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H29NO4Si/c1-5-10-13(15)14-11-9-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3,(H,14,15)
InChIKeyXIUBHQHXHGCQMC-UHFFFAOYSA-N
XLogP2.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
6-hydroxy-N-(3-triethoxysilylpropyl)undecanamide
CID 90014930
5-hydroxy-N-(3-triethoxysilylpropyl)decanamide
CID 90014913
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
2,3-bis[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]butanedioic acid
CID 174032180
silane;3-triethoxysilylpropylurea
CID 161180470
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide
CID 175949484
2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide
CID 10289103

Frequently Asked Questions

What is the IUPAC name of N-(3-triethoxysilylpropyl)butanamide?
The IUPAC name of N-(3-triethoxysilylpropyl)butanamide (CID 20829613) is N-(3-triethoxysilylpropyl)butanamide.
What is the SMILES notation for N-(3-triethoxysilylpropyl)butanamide?
The canonical SMILES for N-(3-triethoxysilylpropyl)butanamide is CCCC(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of N-(3-triethoxysilylpropyl)butanamide?
The InChIKey is XIUBHQHXHGCQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4Si/c1-5-10-13(15)14-11-9-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3,(H,14,15).
What are the key properties of N-(3-triethoxysilylpropyl)butanamide?
N-(3-triethoxysilylpropyl)butanamide has a molecular weight of 291.46 g/mol, XLogP of 2.34, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-triethoxysilylpropyl)butanamide is sourced from PubChem (CID 20829613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).