2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C20H20F3NO3 — CID 18084109

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C20H20F3NO3/c1-3-5-14-8-9-17(18(11-14)26-2)27-13-19(25)24-12-15-6-4-7-16(10-15)20(21,22)23/h3-4,6-11H,1,5,12-13H2,2H3,(H,24,25)
InChIKeyKSAYLMQVXKMIAB-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.14
Rot. Bonds8

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 18084109) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID18084109
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C20H20F3NO3/c1-3-5-14-8-9-17(18(11-14)26-2)27-13-19(25)24-12-15-6-4-7-16(10-15)20(21,22)23/h3-4,6-11H,1,5,12-13H2,2H3,(H,24,25)
InChIKeyKSAYLMQVXKMIAB-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504270
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16526066
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 46449126
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26423489
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241530
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859
N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60549237

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 18084109) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is C=CCc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is KSAYLMQVXKMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-3-5-14-8-9-17(18(11-14)26-2)27-13-19(25)24-12-15-6-4-7-16(10-15)20(21,22)23/h3-4,6-11H,1,5,12-13H2,2H3,(H,24,25).
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18084109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).