3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide

C21H24F3NO4 — CID 38143412

IUPAC3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C21H24F3NO4/c1-27-18-8-9-19(28-2)17(11-18)7-10-20(26)25-12-15-3-5-16(6-4-15)13-29-14-21(22,23)24/h3-6,8-9,11H,7,10,12-14H2,1-2H3,(H,25,26)
InChIKeyOWLAVANEDBXDAS-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.03
Rot. Bonds10

About 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide (PubChem CID 38143412) has the molecular formula C21H24F3NO4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
PubChem CID38143412
Molecular FormulaC21H24F3NO4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C21H24F3NO4/c1-27-18-8-9-19(28-2)17(11-18)7-10-20(26)25-12-15-3-5-16(6-4-15)13-29-14-21(22,23)24/h3-6,8-9,11H,7,10,12-14H2,1-2H3,(H,25,26)
InChIKeyOWLAVANEDBXDAS-UHFFFAOYSA-N
XLogP4.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 18291272
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55708503
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857864
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111389654
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide (CID 38143412) is 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide is COc1ccc(OC)c(CCC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is OWLAVANEDBXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO4/c1-27-18-8-9-19(28-2)17(11-18)7-10-20(26)25-12-15-3-5-16(6-4-15)13-29-14-21(22,23)24/h3-6,8-9,11H,7,10,12-14H2,1-2H3,(H,25,26).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 411.42 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 38143412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).