2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid

C25H28F3NO4 — CID 44579254

IUPAC2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O
InChIInChI=1S/C25H28F3NO4/c1-2-32-23(24(30)31)16-18-6-8-22(9-7-18)33-15-14-29-12-10-19(11-13-29)20-4-3-5-21(17-20)25(26,27)28/h3-10,17,23H,2,11-16H2,1H3,(H,30,31)
InChIKeyOKFKMKHSDAABJS-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.91
Rot. Bonds10

About 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid

2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid (PubChem CID 44579254) has the molecular formula C25H28F3NO4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
PubChem CID44579254
Molecular FormulaC25H28F3NO4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O
InChIInChI=1S/C25H28F3NO4/c1-2-32-23(24(30)31)16-18-6-8-22(9-7-18)33-15-14-29-12-10-19(11-13-29)20-4-3-5-21(17-20)25(26,27)28/h3-10,17,23H,2,11-16H2,1H3,(H,30,31)
InChIKeyOKFKMKHSDAABJS-UHFFFAOYSA-N
XLogP4.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]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

Related Compounds

CID 20765805
CID 20765805
CID 25104183
CID 25104183
CID 44579255
CID 44579255
CID 44579289
CID 44579289
CID 44579338
CID 44579338
CID 44579339
CID 44579339
CID 44579341
CID 44579341
CID 2902419
CID 2902419
CID 2977655
CID 2977655
CID 13040907
CID 13040907
CID 44346518
CID 44346518
CID 44579477
CID 44579477

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid (CID 44579254) is 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is OKFKMKHSDAABJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3NO4/c1-2-32-23(24(30)31)16-18-6-8-22(9-7-18)33-15-14-29-12-10-19(11-13-29)20-4-3-5-21(17-20)25(26,27)28/h3-10,17,23H,2,11-16H2,1H3,(H,30,31).
What are the key properties of 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 463.50 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 44579254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).