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

C26H33NO4 — CID 44579338

IUPAC2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCN2CC=C(c3ccc(CC)cc3)CC2)cc1)C(=O)O
InChIInChI=1S/C26H33NO4/c1-3-20-5-9-22(10-6-20)23-13-15-27(16-14-23)17-18-31-24-11-7-21(8-12-24)19-25(26(28)29)30-4-2/h5-13,25H,3-4,14-19H2,1-2H3,(H,28,29)
InChIKeyCRGMTMNRXFVMLF-UHFFFAOYSA-N
MW423.55 g/mol
LogP4.45
Rot. Bonds11

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

2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid (PubChem CID 44579338) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
PubChem CID44579338
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCN2CC=C(c3ccc(CC)cc3)CC2)cc1)C(=O)O
InChIInChI=1S/C26H33NO4/c1-3-20-5-9-22(10-6-20)23-13-15-27(16-14-23)17-18-31-24-11-7-21(8-12-24)19-25(26(28)29)30-4-2/h5-13,25H,3-4,14-19H2,1-2H3,(H,28,29)
InChIKeyCRGMTMNRXFVMLF-UHFFFAOYSA-N
XLogP4.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-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

(S)-3-[4-(3,3-Diphenyl-allyloxy)-phenyl]-2-ethoxy-propionic acid
CID 44321440
(S)-3-{4-[3,3-Bis-(4-methoxy-phenyl)-allyloxy]-phenyl}-2-ethoxy-propionic acid
CID 44321463
(S)-3-[4-(3,3-Di-p-tolyl-allyloxy)-phenyl]-2-ethoxy-propionic acid
CID 44321573
[1-[3-(4-Methoxyphenyl)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
CID 155553222
(E)-(S)-3-[4-(3-biphenyl-4-yl-but-2-enyloxy)-phenyl]-2-ethoxy-propionic acid
CID 10093355
1-[2-(4-Benzylphenoxy)ethyl]piperidine-4-carboxylic acid
CID 17830966
2-[4-[2-[(2-Hydroxy-2-phenylethyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24812040
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24812041
2-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24812042
(2S)-2-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenoxy]propanoic acid
CID 24812043
(2S)-2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenoxy]propanoic acid
CID 24812044
(2R)-2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenoxy]propanoic acid
CID 24812045

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid (CID 44579338) is 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCCN2CC=C(c3ccc(CC)cc3)CC2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is CRGMTMNRXFVMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-3-20-5-9-22(10-6-20)23-13-15-27(16-14-23)17-18-31-24-11-7-21(8-12-24)19-25(26(28)29)30-4-2/h5-13,25H,3-4,14-19H2,1-2H3,(H,28,29).
What are the key properties of 2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 423.55 g/mol, XLogP of 4.45, 11 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-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 44579338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).