2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide

C19H19F3N2O4 — CID 2265456

IUPAC2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESC=C(NOCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H19F3N2O4/c1-12(13-7-8-16(26-2)17(9-13)27-3)24-28-11-18(25)23-15-6-4-5-14(10-15)19(20,21)22/h4-10,24H,1,11H2,2-3H3,(H,23,25)
InChIKeyAPQUXNGPTDCPHC-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.85
Rot. Bonds8

About 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide

2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2265456) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2265456
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESC=C(NOCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H19F3N2O4/c1-12(13-7-8-16(26-2)17(9-13)27-3)24-28-11-18(25)23-15-6-4-5-14(10-15)19(20,21)22/h4-10,24H,1,11H2,2-3H3,(H,23,25)
InChIKeyAPQUXNGPTDCPHC-UHFFFAOYSA-N
XLogP3.85
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903710
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3555342
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3643580
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 57365585
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
prop-2-enyl (E)-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]prop-2-enoate
CID 43012176

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2265456) is 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide is C=C(NOCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is APQUXNGPTDCPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-12(13-7-8-16(26-2)17(9-13)27-3)24-28-11-18(25)23-15-6-4-5-14(10-15)19(20,21)22/h4-10,24H,1,11H2,2-3H3,(H,23,25).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2265456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).