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

C24H26N2O3 — CID 25158160

IUPAC4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
SMILESCc1ccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3/c1-19-8-12-21(13-9-19)26(23-6-2-3-16-25-23)17-18-29-22-14-10-20(11-15-22)5-4-7-24(27)28/h2-3,6,8-16H,4-5,7,17-18H2,1H3,(H,27,28)
InChIKeyKUZOSLBUKHMHNI-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.01
Rot. Bonds10

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

4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid (PubChem CID 25158160) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
PubChem CID25158160
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
SMILESCc1ccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3/c1-19-8-12-21(13-9-19)26(23-6-2-3-16-25-23)17-18-29-22-14-10-20(11-15-22)5-4-7-24(27)28/h2-3,6,8-16H,4-5,7,17-18H2,1H3,(H,27,28)
InChIKeyKUZOSLBUKHMHNI-UHFFFAOYSA-N
XLogP5.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid (CID 25158160) is 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid is Cc1ccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccn2)cc1.
What is the InChIKey of 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
The InChIKey is KUZOSLBUKHMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-19-8-12-21(13-9-19)26(23-6-2-3-16-25-23)17-18-29-22-14-10-20(11-15-22)5-4-7-24(27)28/h2-3,6,8-16H,4-5,7,17-18H2,1H3,(H,27,28).
What are the key properties of 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid?
4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methyl-N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 25158160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).