3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

C19H20F3NO4 — CID 34322367

IUPAC3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2OC(F)(F)F)cc1OC
InChIInChI=1S/C19H20F3NO4/c1-25-16-9-7-13(11-17(16)26-2)8-10-18(24)23-12-14-5-3-4-6-15(14)27-19(20,21)22/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,24)
InChIKeyZPLBBGOIELWIRV-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.85
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 34322367) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID34322367
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2OC(F)(F)F)cc1OC
InChIInChI=1S/C19H20F3NO4/c1-25-16-9-7-13(11-17(16)26-2)8-10-18(24)23-12-14-5-3-4-6-15(14)27-19(20,21)22/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,24)
InChIKeyZPLBBGOIELWIRV-UHFFFAOYSA-N
XLogP3.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 18132676
3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34554888
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111202141
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 34322367) is 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is COc1ccc(CCC(=O)NCc2ccccc2OC(F)(F)F)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is ZPLBBGOIELWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-25-16-9-7-13(11-17(16)26-2)8-10-18(24)23-12-14-5-3-4-6-15(14)27-19(20,21)22/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 383.37 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 34322367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).