3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide

C15H22F3NO4Si — CID 59966866

IUPAC3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
SMILESCO[Si](CCCN(C(=O)CC(F)(F)F)c1ccccc1)(OC)OC
InChIInChI=1S/C15H22F3NO4Si/c1-21-24(22-2,23-3)11-7-10-19(13-8-5-4-6-9-13)14(20)12-15(16,17)18/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyZSTXUBKUOUODOI-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.24
Rot. Bonds9

About 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide

3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide (PubChem CID 59966866) has the molecular formula C15H22F3NO4Si and a molecular weight of 365.42 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
PubChem CID59966866
Molecular FormulaC15H22F3NO4Si
Molecular Weight365.42 g/mol
Exact Mass365.13
IUPAC Name3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
SMILESCO[Si](CCCN(C(=O)CC(F)(F)F)c1ccccc1)(OC)OC
InChIInChI=1S/C15H22F3NO4Si/c1-21-24(22-2,23-3)11-7-10-19(13-8-5-4-6-9-13)14(20)12-15(16,17)18/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyZSTXUBKUOUODOI-UHFFFAOYSA-N
XLogP3.24
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
CID 23561714
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
3,3,3-trifluoro-N-[3-[hydroperoxy-[hydroxy(methyl)silyl]silyloxy-methylsilyl]propyl]-N-phenylpropanamide
CID 123770092
2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid
CID 54926550
N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205322
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778
N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide
CID 165154360
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
CID 103017246
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
CID 2858219

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide (CID 59966866) is 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide is CO[Si](CCCN(C(=O)CC(F)(F)F)c1ccccc1)(OC)OC.
What is the InChIKey of 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide?
The InChIKey is ZSTXUBKUOUODOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO4Si/c1-21-24(22-2,23-3)11-7-10-19(13-8-5-4-6-9-13)14(20)12-15(16,17)18/h4-6,8-9H,7,10-12H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide?
3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide has a molecular weight of 365.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide is sourced from PubChem (CID 59966866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).