2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid

C22H24F3NO4 — CID 11281669

IUPAC2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid
SMILES[H]/N=C(\COCc1ccc(C(F)(F)F)cc1)c1cccc(CC(OC(C)C)C(=O)O)c1
InChIInChI=1S/C22H24F3NO4/c1-14(2)30-20(21(27)28)11-16-4-3-5-17(10-16)19(26)13-29-12-15-6-8-18(9-7-15)22(23,24)25/h3-10,14,20,26H,11-13H2,1-2H3,(H,27,28)/b26-19+
InChIKeyVAUVYMZSSXCIOJ-LGUFXXKBSA-N
MW423.43 g/mol
LogP4.71
Rot. Bonds10

About 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid

2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid (PubChem CID 11281669) has the molecular formula C22H24F3NO4 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid
PubChem CID11281669
Molecular FormulaC22H24F3NO4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid
SMILES[H]/N=C(\COCc1ccc(C(F)(F)F)cc1)c1cccc(CC(OC(C)C)C(=O)O)c1
InChIInChI=1S/C22H24F3NO4/c1-14(2)30-20(21(27)28)11-16-4-3-5-17(10-16)19(26)13-29-12-15-6-8-18(9-7-15)22(23,24)25/h3-10,14,20,26H,11-13H2,1-2H3,(H,27,28)/b26-19+
InChIKeyVAUVYMZSSXCIOJ-LGUFXXKBSA-N
XLogP4.71
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid?
The IUPAC name of 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid (CID 11281669) is 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid.
What is the SMILES notation for 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid?
The canonical SMILES for 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid is [H]/N=C(\COCc1ccc(C(F)(F)F)cc1)c1cccc(CC(OC(C)C)C(=O)O)c1.
What is the InChIKey of 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid?
The InChIKey is VAUVYMZSSXCIOJ-LGUFXXKBSA-N. The full InChI is InChI=1S/C22H24F3NO4/c1-14(2)30-20(21(27)28)11-16-4-3-5-17(10-16)19(26)13-29-12-15-6-8-18(9-7-15)22(23,24)25/h3-10,14,20,26H,11-13H2,1-2H3,(H,27,28)/b26-19+.
What are the key properties of 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid?
2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid has a molecular weight of 423.43 g/mol, XLogP of 4.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-3-[3-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethanimidoyl]phenyl]propanoic acid is sourced from PubChem (CID 11281669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).