2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide

C14H20F3NO3Si — CID 553439

IUPAC2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)C(F)(F)F)ccc1O[Si](C)(C)C
InChIInChI=1S/C14H20F3NO3Si/c1-20-12-9-10(5-6-11(12)21-22(2,3)4)7-8-18-13(19)14(15,16)17/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyAAOKGRKMDRTZJG-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.13
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide (PubChem CID 553439) has the molecular formula C14H20F3NO3Si and a molecular weight of 335.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide
PubChem CID553439
Molecular FormulaC14H20F3NO3Si
Molecular Weight335.40 g/mol
Exact Mass335.12
IUPAC Name2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)C(F)(F)F)ccc1O[Si](C)(C)C
InChIInChI=1S/C14H20F3NO3Si/c1-20-12-9-10(5-6-11(12)21-22(2,3)4)7-8-18-13(19)14(15,16)17/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyAAOKGRKMDRTZJG-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731934
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
2-(3-methoxy-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine
CID 530100
N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21282392
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111214702
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 115178909
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963657
methyl 2-[2-methoxy-5-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]sulfonylphenyl]acetate
CID 86592679

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide (CID 553439) is 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide is COc1cc(CCNC(=O)C(F)(F)F)ccc1O[Si](C)(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide?
The InChIKey is AAOKGRKMDRTZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3Si/c1-20-12-9-10(5-6-11(12)21-22(2,3)4)7-8-18-13(19)14(15,16)17/h5-6,9H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).