2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C21H22F3NO3 — CID 112763961

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NC(C)c2cccc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C21H22F3NO3/c1-4-6-15-9-10-18(19(11-15)27-3)28-13-20(26)25-14(2)16-7-5-8-17(12-16)21(22,23)24/h4-12,14H,13H2,1-3H3,(H,25,26)/b6-4+
InChIKeyFOIGEFYLUXOYSX-GQCTYLIASA-N
MW393.41 g/mol
LogP5.00
Rot. Bonds7

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 112763961) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID112763961
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NC(C)c2cccc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C21H22F3NO3/c1-4-6-15-9-10-18(19(11-15)27-3)28-13-20(26)25-14(2)16-7-5-8-17(12-16)21(22,23)24/h4-12,14H,13H2,1-3H3,(H,25,26)/b6-4+
InChIKeyFOIGEFYLUXOYSX-GQCTYLIASA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 18226893
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24635638
N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907752
4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid
CID 119201059
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
N'-[[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(1-phenylethyl)oxamide
CID 3702476
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
CID 8751619
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 60620296
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681
2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7611853

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 112763961) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is C/C=C/c1ccc(OCC(=O)NC(C)c2cccc(C(F)(F)F)c2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is FOIGEFYLUXOYSX-GQCTYLIASA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-4-6-15-9-10-18(19(11-15)27-3)28-13-20(26)25-14(2)16-7-5-8-17(12-16)21(22,23)24/h4-12,14H,13H2,1-3H3,(H,25,26)/b6-4+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 112763961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).