(Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide

C31H31NO4Si — CID 146036673

IUPAC(Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide
SMILESCOC(CNC(=O)/C(=C/c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C31H31NO4Si/c1-34-30(35-2)24-32-31(33)29(23-25-15-7-3-8-16-25)36-37(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-23,30H,24H2,1-2H3,(H,32,33)/b29-23-
InChIKeyIXNHJXUURIGMOB-FAJYDZGRSA-N
MW509.68 g/mol
LogP3.45
Rot. Bonds11

About (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide

(Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide (PubChem CID 146036673) has the molecular formula C31H31NO4Si and a molecular weight of 509.68 g/mol. Its IUPAC name is (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide
PubChem CID146036673
Molecular FormulaC31H31NO4Si
Molecular Weight509.68 g/mol
Exact Mass509.20
IUPAC Name(Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide
SMILESCOC(CNC(=O)/C(=C/c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C31H31NO4Si/c1-34-30(35-2)24-32-31(33)29(23-25-15-7-3-8-16-25)36-37(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-23,30H,24H2,1-2H3,(H,32,33)/b29-23-
InChIKeyIXNHJXUURIGMOB-FAJYDZGRSA-N
XLogP3.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(z)-N-(t-butyl)-3-phenyl-2-[(triphenylsilyl)oxy]acrylamide
CID 146036627

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide?
The IUPAC name of (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide (CID 146036673) is (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide.
What is the SMILES notation for (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide?
The canonical SMILES for (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide is COC(CNC(=O)/C(=C/c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide?
The InChIKey is IXNHJXUURIGMOB-FAJYDZGRSA-N. The full InChI is InChI=1S/C31H31NO4Si/c1-34-30(35-2)24-32-31(33)29(23-25-15-7-3-8-16-25)36-37(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-23,30H,24H2,1-2H3,(H,32,33)/b29-23-.
What are the key properties of (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide?
(Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide has a molecular weight of 509.68 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,2-dimethoxyethyl)-3-phenyl-2-triphenylsilyloxyprop-2-enamide is sourced from PubChem (CID 146036673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).