N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide

C24H43NO3Si2 — CID 134716501

IUPACN-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCc1ccc(O[Si](CC)(CC)CC)c(O[Si](CC)(CC)CC)c1
InChIInChI=1S/C24H43NO3Si2/c1-9-29(10-2,11-3)27-22-16-15-21(17-18-25-24(26)20(7)8)19-23(22)28-30(12-4,13-5)14-6/h15-16,19H,7,9-14,17-18H2,1-6,8H3,(H,25,26)
InChIKeyXOUVRSAYRWIBTR-UHFFFAOYSA-N
MW449.78 g/mol
LogP6.69
Rot. Bonds14

About N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide

N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide (PubChem CID 134716501) has the molecular formula C24H43NO3Si2 and a molecular weight of 449.78 g/mol. Its IUPAC name is N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide
PubChem CID134716501
Molecular FormulaC24H43NO3Si2
Molecular Weight449.78 g/mol
Exact Mass449.28
IUPAC NameN-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCc1ccc(O[Si](CC)(CC)CC)c(O[Si](CC)(CC)CC)c1
InChIInChI=1S/C24H43NO3Si2/c1-9-29(10-2,11-3)27-22-16-15-21(17-18-25-24(26)20(7)8)19-23(22)28-30(12-4,13-5)14-6/h15-16,19H,7,9-14,17-18H2,1-6,8H3,(H,25,26)
InChIKeyXOUVRSAYRWIBTR-UHFFFAOYSA-N
XLogP6.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.78
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide (CID 134716501) is N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCc1ccc(O[Si](CC)(CC)CC)c(O[Si](CC)(CC)CC)c1.
What is the InChIKey of N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide?
The InChIKey is XOUVRSAYRWIBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO3Si2/c1-9-29(10-2,11-3)27-22-16-15-21(17-18-25-24(26)20(7)8)19-23(22)28-30(12-4,13-5)14-6/h15-16,19H,7,9-14,17-18H2,1-6,8H3,(H,25,26).
What are the key properties of N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide?
N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide has a molecular weight of 449.78 g/mol, XLogP of 6.69, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(triethylsilyloxy)phenyl]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 134716501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).