N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide

C13H27NO4Si — CID 58085096

IUPACN-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H27NO4Si/c1-7-12(15)14-13(5,6)11-19(16-8-2,17-9-3)18-10-4/h7H,1,8-11H2,2-6H3,(H,14,15)
InChIKeyWNXQAYDVOYUKEY-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.12
Rot. Bonds10

About N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide

N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide (PubChem CID 58085096) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide
PubChem CID58085096
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC NameN-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H27NO4Si/c1-7-12(15)14-13(5,6)11-19(16-8-2,17-9-3)18-10-4/h7H,1,8-11H2,2-6H3,(H,14,15)
InChIKeyWNXQAYDVOYUKEY-UHFFFAOYSA-N
XLogP2.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide
CID 159339342
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
[2-methyl-2-(prop-2-enoylamino)propyl]boronic acid
CID 150077242
[2-methyl-2-(prop-2-enoylamino)propyl]sulfonyl 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 154084381
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668
CID 174301773
CID 174301773
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)prop-2-enamide
CID 58969286
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide (CID 58085096) is N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)C[Si](OCC)(OCC)OCC.
What is the InChIKey of N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide?
The InChIKey is WNXQAYDVOYUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-7-12(15)14-13(5,6)11-19(16-8-2,17-9-3)18-10-4/h7H,1,8-11H2,2-6H3,(H,14,15).
What are the key properties of N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide?
N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide has a molecular weight of 289.45 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 58085096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).