2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid

C22H24F3NO4 — CID 22494205

IUPAC2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(CC(=O)Nc2ccc(C(F)(F)F)cc2C)c1)C(=O)O
InChIInChI=1S/C22H24F3NO4/c1-4-15(21(28)29)10-14-5-8-19(30-3)16(11-14)12-20(27)26-18-7-6-17(9-13(18)2)22(23,24)25/h5-9,11,15H,4,10,12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyZLKFKCJBXHDVMS-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.86
Rot. Bonds8

About 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid

2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid (PubChem CID 22494205) has the molecular formula C22H24F3NO4 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid
PubChem CID22494205
Molecular FormulaC22H24F3NO4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(CC(=O)Nc2ccc(C(F)(F)F)cc2C)c1)C(=O)O
InChIInChI=1S/C22H24F3NO4/c1-4-15(21(28)29)10-14-5-8-19(30-3)16(11-14)12-20(27)26-18-7-6-17(9-13(18)2)22(23,24)25/h5-9,11,15H,4,10,12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyZLKFKCJBXHDVMS-UHFFFAOYSA-N
XLogP4.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid 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

2-[[3-[[2-[3-fluoro-2-(trifluoromethyl)phenyl]acetyl]amino]-4-methoxyphenyl]methyl]butanoic acid
CID 142657407
2-[[4-methoxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methylamino]phenyl]methyl]butanoic acid
CID 151797621
2-[[3-[3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-methoxyphenyl]phenyl]methyl]butanoic acid
CID 59218928
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid
CID 22494098
ethyl 2-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 10972172
2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid
CID 22494357
(2R)-2-[(3,4-dimethylphenyl)methyl]butanoic acid
CID 94240674
2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11760451

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid?
The IUPAC name of 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid (CID 22494205) is 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid is CCC(Cc1ccc(OC)c(CC(=O)Nc2ccc(C(F)(F)F)cc2C)c1)C(=O)O.
What is the InChIKey of 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid?
The InChIKey is ZLKFKCJBXHDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO4/c1-4-15(21(28)29)10-14-5-8-19(30-3)16(11-14)12-20(27)26-18-7-6-17(9-13(18)2)22(23,24)25/h5-9,11,15H,4,10,12H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid?
2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid has a molecular weight of 423.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid is sourced from PubChem (CID 22494205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).