N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide

C11H23NO4Si — CID 141245028

IUPACN-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
SMILESCC=CC(=O)N(C)CCC[Si](OC)(OC)OC
InChIInChI=1S/C11H23NO4Si/c1-6-8-11(13)12(2)9-7-10-17(14-3,15-4)16-5/h6,8H,7,9-10H2,1-5H3
InChIKeyGONNRFFVFIIUOU-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.29
Rot. Bonds8

About N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide

N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide (PubChem CID 141245028) has the molecular formula C11H23NO4Si and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
PubChem CID141245028
Molecular FormulaC11H23NO4Si
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
SMILESCC=CC(=O)N(C)CCC[Si](OC)(OC)OC
InChIInChI=1S/C11H23NO4Si/c1-6-8-11(13)12(2)9-7-10-17(14-3,15-4)16-5/h6,8H,7,9-10H2,1-5H3
InChIKeyGONNRFFVFIIUOU-UHFFFAOYSA-N
XLogP1.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
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

(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
CID 143271127
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
4-[[(E)-but-2-enoyl]-methylamino]butanoic acid
CID 43151833
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 71445465
(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
CID 102410290
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
CID 110459787
(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide
CID 176580093

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide?
The IUPAC name of N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide (CID 141245028) is N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide.
What is the SMILES notation for N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide?
The canonical SMILES for N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide is CC=CC(=O)N(C)CCC[Si](OC)(OC)OC.
What is the InChIKey of N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide?
The InChIKey is GONNRFFVFIIUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4Si/c1-6-8-11(13)12(2)9-7-10-17(14-3,15-4)16-5/h6,8H,7,9-10H2,1-5H3.
What are the key properties of N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide?
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide has a molecular weight of 261.39 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide is sourced from PubChem (CID 141245028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).