3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide

C22H24F3NO4 — CID 18271704

IUPAC3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H24F3NO4/c1-4-5-17-10-18(11-19(28-2)20(17)29-3)21(27)26-12-15-6-8-16(9-7-15)13-30-14-22(23,24)25/h4,6-11H,1,5,12-14H2,2-3H3,(H,26,27)
InChIKeyITIBXGLACQVFTI-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.44
Rot. Bonds10

About 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide

3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide (PubChem CID 18271704) has the molecular formula C22H24F3NO4 and a molecular weight of 423.43 g/mol. Its IUPAC name is 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
PubChem CID18271704
Molecular FormulaC22H24F3NO4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H24F3NO4/c1-4-5-17-10-18(11-19(28-2)20(17)29-3)21(27)26-12-15-6-8-16(9-7-15)13-30-14-22(23,24)25/h4,6-11H,1,5,12-14H2,2-3H3,(H,26,27)
InChIKeyITIBXGLACQVFTI-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55847064
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55660672
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-dimethoxy-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55681129
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 37270693

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide (CID 18271704) is 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide is C=CCc1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The InChIKey is ITIBXGLACQVFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO4/c1-4-5-17-10-18(11-19(28-2)20(17)29-3)21(27)26-12-15-6-8-16(9-7-15)13-30-14-22(23,24)25/h4,6-11H,1,5,12-14H2,2-3H3,(H,26,27).
What are the key properties of 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide has a molecular weight of 423.43 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 18271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).