2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide

C23H26F3N3O2 — CID 91408087

IUPAC2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide
SMILESCC(C)(C)CN(CCOc1ccc(CC(N)=O)cc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N3O2/c1-22(2,3)15-29(18-7-6-17(14-27)20(13-18)23(24,25)26)10-11-31-19-8-4-16(5-9-19)12-21(28)30/h4-9,13H,10-12,15H2,1-3H3,(H2,28,30)
InChIKeyPXYQMYPWCKTZLJ-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.54
Rot. Bonds8

About 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide

2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide (PubChem CID 91408087) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide
PubChem CID91408087
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide
SMILESCC(C)(C)CN(CCOc1ccc(CC(N)=O)cc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N3O2/c1-22(2,3)15-29(18-7-6-17(14-27)20(13-18)23(24,25)26)10-11-31-19-8-4-16(5-9-19)12-21(28)30/h4-9,13H,10-12,15H2,1-3H3,(H2,28,30)
InChIKeyPXYQMYPWCKTZLJ-UHFFFAOYSA-N
XLogP4.54
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide 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

benzyl N-[4-[2-[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate
CID 87523390
4-[3-(4-methoxyphenoxy)propyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 11718980
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 86623735
4-[2,2-dimethylpropyl(2-oxoethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 11289510
4-[2-(4-chlorophenoxy)ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 44524661
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 61102092
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile;4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 160873758
4-[2,3-dihydroxypropyl(2,2-dimethylpropyl)amino]-2-(trifluoromethyl)benzonitrile
CID 11198288
2-[4-[[4-[4-cyano-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrrolidin-2-yl]methoxy]phenyl]acetamide
CID 141470325
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-(dimethylamino)ethoxy]anilino]-2-methylpropanamide
CID 71566634
4-(4-hydroxypentoxy)-2-(trifluoromethyl)benzonitrile
CID 11448692
2-[4-(3,4-dicyanophenoxy)phenyl]acetamide
CID 118858046

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide (CID 91408087) is 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide is CC(C)(C)CN(CCOc1ccc(CC(N)=O)cc1)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide?
The InChIKey is PXYQMYPWCKTZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-22(2,3)15-29(18-7-6-17(14-27)20(13-18)23(24,25)26)10-11-31-19-8-4-16(5-9-19)12-21(28)30/h4-9,13H,10-12,15H2,1-3H3,(H2,28,30).
What are the key properties of 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide?
2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-cyano-N-(2,2-dimethylpropyl)-3-(trifluoromethyl)anilino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 91408087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).