2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide

C16H33NO4Si — CID 58330356

IUPAC2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H33NO4Si/c1-6-19-22(20-7-2,21-8-3)14-12-10-9-11-13-17-16(18)15(4)5/h4,6-14H2,1-3,5H3,(H,17,18)
InChIKeyWOQYGSAEYQUMQO-UHFFFAOYSA-N
MW331.53 g/mol
LogP3.29
Rot. Bonds14

About 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide

2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide (PubChem CID 58330356) has the molecular formula C16H33NO4Si and a molecular weight of 331.53 g/mol. Its IUPAC name is 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
PubChem CID58330356
Molecular FormulaC16H33NO4Si
Molecular Weight331.53 g/mol
Exact Mass331.22
IUPAC Name2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H33NO4Si/c1-6-19-22(20-7-2,21-8-3)14-12-10-9-11-13-17-16(18)15(4)5/h4,6-14H2,1-3,5H3,(H,17,18)
InChIKeyWOQYGSAEYQUMQO-UHFFFAOYSA-N
XLogP3.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.29
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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Related Compounds

N-[8-[diethoxy(methyl)silyl]octyl]-2-methylprop-2-enamide
CID 169083674
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide
CID 87119608
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-[8-[hydroxy(dimethyl)silyl]octyl]-2-methylprop-2-enamide
CID 162481107
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
2-methyl-N-[3-tris[[ethyl(dimethyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 54537406
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide (CID 58330356) is 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide is C=C(C)C(=O)NCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide?
The InChIKey is WOQYGSAEYQUMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4Si/c1-6-19-22(20-7-2,21-8-3)14-12-10-9-11-13-17-16(18)15(4)5/h4,6-14H2,1-3,5H3,(H,17,18).
What are the key properties of 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide?
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide has a molecular weight of 331.53 g/mol, XLogP of 3.29, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide is sourced from PubChem (CID 58330356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).