N-(3-triethoxysilylpropyl)prop-2-enamide

C12H25NO4Si — CID 13147675

IUPACN-(3-triethoxysilylpropyl)prop-2-enamide
SMILESC=CC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H25NO4Si/c1-5-12(14)13-10-9-11-18(15-6-2,16-7-3)17-8-4/h5H,1,6-11H2,2-4H3,(H,13,14)
InChIKeyJUGMHUQFSYYJTB-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.73
Rot. Bonds11

About N-(3-triethoxysilylpropyl)prop-2-enamide

N-(3-triethoxysilylpropyl)prop-2-enamide (PubChem CID 13147675) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(3-triethoxysilylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-triethoxysilylpropyl)prop-2-enamide
PubChem CID13147675
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC NameN-(3-triethoxysilylpropyl)prop-2-enamide
SMILESC=CC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H25NO4Si/c1-5-12(14)13-10-9-11-18(15-6-2,16-7-3)17-8-4/h5H,1,6-11H2,2-4H3,(H,13,14)
InChIKeyJUGMHUQFSYYJTB-UHFFFAOYSA-N
XLogP1.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.73
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-triethoxysilylpropyl)prop-2-enamide?
The IUPAC name of N-(3-triethoxysilylpropyl)prop-2-enamide (CID 13147675) is N-(3-triethoxysilylpropyl)prop-2-enamide.
What is the SMILES notation for N-(3-triethoxysilylpropyl)prop-2-enamide?
The canonical SMILES for N-(3-triethoxysilylpropyl)prop-2-enamide is C=CC(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of N-(3-triethoxysilylpropyl)prop-2-enamide?
The InChIKey is JUGMHUQFSYYJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-5-12(14)13-10-9-11-18(15-6-2,16-7-3)17-8-4/h5H,1,6-11H2,2-4H3,(H,13,14).
What are the key properties of N-(3-triethoxysilylpropyl)prop-2-enamide?
N-(3-triethoxysilylpropyl)prop-2-enamide has a molecular weight of 275.42 g/mol, XLogP of 1.73, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-triethoxysilylpropyl)prop-2-enamide is sourced from PubChem (CID 13147675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).