2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide

C13H25NO4Si — CID 14876449

IUPAC2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide
SMILESC=CCN(CCC[Si](OC)(OC)OC)C(=O)C(=C)C
InChIInChI=1S/C13H25NO4Si/c1-7-9-14(13(15)12(2)3)10-8-11-19(16-4,17-5)18-6/h7H,1-2,8-11H2,3-6H3
InChIKeyZHJNFCCPDPBZAP-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.85
Rot. Bonds10

About 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide

2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide (PubChem CID 14876449) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide
PubChem CID14876449
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide
SMILESC=CCN(CCC[Si](OC)(OC)OC)C(=O)C(=C)C
InChIInChI=1S/C13H25NO4Si/c1-7-9-14(13(15)12(2)3)10-8-11-19(16-4,17-5)18-6/h7H,1-2,8-11H2,3-6H3
InChIKeyZHJNFCCPDPBZAP-UHFFFAOYSA-N
XLogP1.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide (CID 14876449) is 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide is C=CCN(CCC[Si](OC)(OC)OC)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
The InChIKey is ZHJNFCCPDPBZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-7-9-14(13(15)12(2)3)10-8-11-19(16-4,17-5)18-6/h7H,1-2,8-11H2,3-6H3.
What are the key properties of 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide?
2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide has a molecular weight of 287.43 g/mol, XLogP of 1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-N-(3-trimethoxysilylpropyl)prop-2-enamide is sourced from PubChem (CID 14876449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).