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

C27H35NO4 — CID 44579339

IUPAC2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCCc1ccc(C2=CCN(CCOc3ccc(CC(OCC)C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C27H35NO4/c1-3-5-21-6-10-23(11-7-21)24-14-16-28(17-15-24)18-19-32-25-12-8-22(9-13-25)20-26(27(29)30)31-4-2/h6-14,26H,3-5,15-20H2,1-2H3,(H,29,30)
InChIKeyHTOLVGPPGULDBD-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.84
Rot. Bonds12

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

2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid (PubChem CID 44579339) has the molecular formula C27H35NO4 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
PubChem CID44579339
Molecular FormulaC27H35NO4
Molecular Weight437.58 g/mol
Exact Mass437.26
IUPAC Name2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCCc1ccc(C2=CCN(CCOc3ccc(CC(OCC)C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C27H35NO4/c1-3-5-21-6-10-23(11-7-21)24-14-16-28(17-15-24)18-19-32-25-12-8-22(9-13-25)20-26(27(29)30)31-4-2/h6-14,26H,3-5,15-20H2,1-2H3,(H,29,30)
InChIKeyHTOLVGPPGULDBD-UHFFFAOYSA-N
XLogP4.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid with MolForge

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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-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid (CID 44579339) is 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid is CCCc1ccc(C2=CCN(CCOc3ccc(CC(OCC)C(=O)O)cc3)CC2)cc1.
What is the InChIKey of 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is HTOLVGPPGULDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO4/c1-3-5-21-6-10-23(11-7-21)24-14-16-28(17-15-24)18-19-32-25-12-8-22(9-13-25)20-26(27(29)30)31-4-2/h6-14,26H,3-5,15-20H2,1-2H3,(H,29,30).
What are the key properties of 2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 437.58 g/mol, XLogP of 4.84, 12 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-propylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 44579339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).