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

C24H25NO3 — CID 25109446

IUPAC4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c26-24(27)13-7-8-20-14-16-23(17-15-20)28-19-18-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17H,7-8,13,18-19H2,(H,26,27)
InChIKeyZRUSWRNNKBBUHX-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.31
Rot. Bonds10

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

4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid (PubChem CID 25109446) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid
PubChem CID25109446
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c26-24(27)13-7-8-20-14-16-23(17-15-20)28-19-18-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17H,7-8,13,18-19H2,(H,26,27)
InChIKeyZRUSWRNNKBBUHX-UHFFFAOYSA-N
XLogP5.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic 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

4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
CID 25109388
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
4-oxo-4-[[4-(3-phenylpropoxy)phenyl]methylamino]butanoic acid
CID 20990989
4-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]butanoic acid
CID 10157665
9-phenoxynonanoic acid
CID 15887638
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenoxy]butanoic acid
CID 11725612
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid (CID 25109446) is 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid is O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid?
The InChIKey is ZRUSWRNNKBBUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c26-24(27)13-7-8-20-14-16-23(17-15-20)28-19-18-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17H,7-8,13,18-19H2,(H,26,27).
What are the key properties of 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid?
4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid has a molecular weight of 375.47 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 25109446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).