4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid

C23H24N2O3 — CID 25098573

IUPAC4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27)
InChIKeyWQXHZCYCKCQFQP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.71
Rot. Bonds10

About 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid

4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid (PubChem CID 25098573) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
PubChem CID25098573
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27)
InChIKeyWQXHZCYCKCQFQP-UHFFFAOYSA-N
XLogP4.71
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid (CID 25098573) is 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid is O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
The InChIKey is WQXHZCYCKCQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27).
What are the key properties of 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid has a molecular weight of 376.46 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 25098573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).