(E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide

C17H23F3N2O3 — CID 46481946

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCN(C)CC(F)(F)F)c(OC)c1
InChIInChI=1S/C17H23F3N2O3/c1-22(12-17(18,19)20)10-4-9-21-16(23)8-6-13-5-7-14(24-2)11-15(13)25-3/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,23)/b8-6+
InChIKeyHHIJOGRHBLBKBV-SOFGYWHQSA-N
MW360.38 g/mol
LogP2.72
Rot. Bonds9

About (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide

(E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide (PubChem CID 46481946) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide
PubChem CID46481946
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCN(C)CC(F)(F)F)c(OC)c1
InChIInChI=1S/C17H23F3N2O3/c1-22(12-17(18,19)20)10-4-9-21-16(23)8-6-13-5-7-14(24-2)11-15(13)25-3/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,23)/b8-6+
InChIKeyHHIJOGRHBLBKBV-SOFGYWHQSA-N
XLogP2.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315728
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide
CID 55712971
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78781003
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
3-(2,4-dimethoxyphenyl)-N-[2-(4-iodo-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 54491467
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064123
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3598582

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide (CID 46481946) is (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCCN(C)CC(F)(F)F)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
The InChIKey is HHIJOGRHBLBKBV-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-22(12-17(18,19)20)10-4-9-21-16(23)8-6-13-5-7-14(24-2)11-15(13)25-3/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,23)/b8-6+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide has a molecular weight of 360.38 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 46481946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).