2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide

C20H19F3N2O5 — CID 75449088

IUPAC2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(NC(=O)COc2ccccc2C#N)C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C20H19F3N2O5/c1-27-15-8-13(9-16(28-2)18(15)29-3)19(20(21,22)23)25-17(26)11-30-14-7-5-4-6-12(14)10-24/h4-9,19H,11H2,1-3H3,(H,25,26)
InChIKeyGPBGIEKTUJROAF-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.38
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide

2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide (PubChem CID 75449088) has the molecular formula C20H19F3N2O5 and a molecular weight of 424.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
PubChem CID75449088
Molecular FormulaC20H19F3N2O5
Molecular Weight424.38 g/mol
Exact Mass424.12
IUPAC Name2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(NC(=O)COc2ccccc2C#N)C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C20H19F3N2O5/c1-27-15-8-13(9-16(28-2)18(15)29-3)19(20(21,22)23)25-17(26)11-30-14-7-5-4-6-12(14)10-24/h4-9,19H,11H2,1-3H3,(H,25,26)
InChIKeyGPBGIEKTUJROAF-UHFFFAOYSA-N
XLogP3.38
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 8500487
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
2-(2-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937600

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide (CID 75449088) is 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide is COc1cc(C(NC(=O)COc2ccccc2C#N)C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The InChIKey is GPBGIEKTUJROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O5/c1-27-15-8-13(9-16(28-2)18(15)29-3)19(20(21,22)23)25-17(26)11-30-14-7-5-4-6-12(14)10-24/h4-9,19H,11H2,1-3H3,(H,25,26).
What are the key properties of 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide has a molecular weight of 424.38 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 75449088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).