N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide

C23H31FN2O2Si — CID 140781149

IUPACN-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(C)C(C(=O)Nc1ccc([Si](C)(C)C)c(F)c1)c1ccc(COC)cc1
InChIInChI=1S/C23H31FN2O2Si/c1-7-14-26(2)22(18-10-8-17(9-11-18)16-28-3)23(27)25-19-12-13-21(20(24)15-19)29(4,5)6/h7-13,15,22H,1,14,16H2,2-6H3,(H,25,27)
InChIKeyXHOOGODOPXDBAM-UHFFFAOYSA-N
MW414.60 g/mol
LogP4.31
Rot. Bonds9

About N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide

N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide (PubChem CID 140781149) has the molecular formula C23H31FN2O2Si and a molecular weight of 414.60 g/mol. Its IUPAC name is N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide
PubChem CID140781149
Molecular FormulaC23H31FN2O2Si
Molecular Weight414.60 g/mol
Exact Mass414.21
IUPAC NameN-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(C)C(C(=O)Nc1ccc([Si](C)(C)C)c(F)c1)c1ccc(COC)cc1
InChIInChI=1S/C23H31FN2O2Si/c1-7-14-26(2)22(18-10-8-17(9-11-18)16-28-3)23(27)25-19-12-13-21(20(24)15-19)29(4,5)6/h7-13,15,22H,1,14,16H2,2-6H3,(H,25,27)
InChIKeyXHOOGODOPXDBAM-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781276
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
(4-nitrophenyl) N-[(1R)-2-(3-fluoro-4-trimethylsilylanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]carbamate
CID 140781462
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781121
2-amino-N-(4-tert-butyl-3,5-difluorophenyl)-2-[4-(methoxymethyl)phenyl]acetamide
CID 121316684
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide
CID 152913842
2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide
CID 162055758
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
CID 152977183
(2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide
CID 140781260
N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
CID 4997643
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
CID 4985969
N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 129055257

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide (CID 140781149) is N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide is C=CCN(C)C(C(=O)Nc1ccc([Si](C)(C)C)c(F)c1)c1ccc(COC)cc1.
What is the InChIKey of N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide?
The InChIKey is XHOOGODOPXDBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2Si/c1-7-14-26(2)22(18-10-8-17(9-11-18)16-28-3)23(27)25-19-12-13-21(20(24)15-19)29(4,5)6/h7-13,15,22H,1,14,16H2,2-6H3,(H,25,27).
What are the key properties of N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide?
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide has a molecular weight of 414.60 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 140781149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).