N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide

C12H25NO4Si — CID 140675213

IUPACN-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC[Si](OC)(OCC)OCC
InChIInChI=1S/C12H25NO4Si/c1-6-16-18(15-5,17-7-2)10-8-9-13-12(14)11(3)4/h3,6-10H2,1-2,4-5H3,(H,13,14)
InChIKeyOHUARVDHUYKSCF-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.73
Rot. Bonds10

About N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide

N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide (PubChem CID 140675213) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide
PubChem CID140675213
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC NameN-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC[Si](OC)(OCC)OCC
InChIInChI=1S/C12H25NO4Si/c1-6-16-18(15-5,17-7-2)10-8-9-13-12(14)11(3)4/h3,6-10H2,1-2,4-5H3,(H,13,14)
InChIKeyOHUARVDHUYKSCF-UHFFFAOYSA-N
XLogP1.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide (CID 140675213) is N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC[Si](OC)(OCC)OCC.
What is the InChIKey of N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide?
The InChIKey is OHUARVDHUYKSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-6-16-18(15-5,17-7-2)10-8-9-13-12(14)11(3)4/h3,6-10H2,1-2,4-5H3,(H,13,14).
What are the key properties of N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide?
N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide has a molecular weight of 275.42 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 140675213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).