N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide

C27H57NO4Si — CID 175949484

IUPACN-deuterio-N-(3-triethoxysilylpropyl)octadecanamide
SMILES[2H]N(CCC[Si](OCC)(OCC)OCC)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C27H57NO4Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)28-25-23-26-33(30-6-2,31-7-3)32-8-4/h5-26H2,1-4H3,(H,28,29)/i/hD
InChIKeyHTOKLMAJVRDXID-DYCDLGHISA-N
MW488.85 g/mol
LogP7.80
Rot. Bonds26

About N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide

N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide (PubChem CID 175949484) has the molecular formula C27H57NO4Si and a molecular weight of 488.85 g/mol. Its IUPAC name is N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide.

Molecular Properties

Compound NameN-deuterio-N-(3-triethoxysilylpropyl)octadecanamide
PubChem CID175949484
Molecular FormulaC27H57NO4Si
Molecular Weight488.85 g/mol
Exact Mass488.41
IUPAC NameN-deuterio-N-(3-triethoxysilylpropyl)octadecanamide
SMILES[2H]N(CCC[Si](OCC)(OCC)OCC)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C27H57NO4Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)28-25-23-26-33(30-6-2,31-7-3)32-8-4/h5-26H2,1-4H3,(H,28,29)/i/hD
InChIKeyHTOKLMAJVRDXID-DYCDLGHISA-N
XLogP7.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.85
LogP ≤ 57.80
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'}

Analyze N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
6-hydroxy-N-(3-triethoxysilylpropyl)undecanamide
CID 90014930
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
5-hydroxy-N-(3-triethoxysilylpropyl)decanamide
CID 90014913
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
S-(3-triethoxysilylpropyl) tetradecanethioate
CID 22026178
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide?
The IUPAC name of N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide (CID 175949484) is N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide.
What is the SMILES notation for N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide?
The canonical SMILES for N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide is [2H]N(CCC[Si](OCC)(OCC)OCC)C(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide?
The InChIKey is HTOKLMAJVRDXID-DYCDLGHISA-N. The full InChI is InChI=1S/C27H57NO4Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)28-25-23-26-33(30-6-2,31-7-3)32-8-4/h5-26H2,1-4H3,(H,28,29)/i/hD.
What are the key properties of N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide?
N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide has a molecular weight of 488.85 g/mol, XLogP of 7.80, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide is sourced from PubChem (CID 175949484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).