3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide

C20H21F3N2O4 — CID 9220530

IUPAC3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O4/c1-25(19(27)12-7-14-5-3-4-6-17(14)28-2)13-18(26)24-15-8-10-16(11-9-15)29-20(21,22)23/h3-6,8-11H,7,12-13H2,1-2H3,(H,24,26)
InChIKeyPAOXKWMGXSRKEC-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.62
Rot. Bonds8

About 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide

3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide (PubChem CID 9220530) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
PubChem CID9220530
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Name3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O4/c1-25(19(27)12-7-14-5-3-4-6-17(14)28-2)13-18(26)24-15-8-10-16(11-9-15)29-20(21,22)23/h3-6,8-11H,7,12-13H2,1-2H3,(H,24,26)
InChIKeyPAOXKWMGXSRKEC-UHFFFAOYSA-N
XLogP3.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide with MolForge

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Related Compounds

N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220589
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8781642
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-3-ylacetamide
CID 9220607
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
3-[methyl-[3-[2-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119233204

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide (CID 9220530) is 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide is COc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
The InChIKey is PAOXKWMGXSRKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-25(19(27)12-7-14-5-3-4-6-17(14)28-2)13-18(26)24-15-8-10-16(11-9-15)29-20(21,22)23/h3-6,8-11H,7,12-13H2,1-2H3,(H,24,26).
What are the key properties of 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide has a molecular weight of 410.39 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide is sourced from PubChem (CID 9220530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).