4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid

C16H23NO4 — CID 82260151

IUPAC4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
SMILESCCCC(=O)Nc1ccc(CCCC(=O)O)cc1OCC
InChIInChI=1S/C16H23NO4/c1-3-6-15(18)17-13-10-9-12(7-5-8-16(19)20)11-14(13)21-4-2/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXPKJVSBWKNKWFL-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.23
Rot. Bonds9

About 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid

4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid (PubChem CID 82260151) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
PubChem CID82260151
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
SMILESCCCC(=O)Nc1ccc(CCCC(=O)O)cc1OCC
InChIInChI=1S/C16H23NO4/c1-3-6-15(18)17-13-10-9-12(7-5-8-16(19)20)11-14(13)21-4-2/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXPKJVSBWKNKWFL-UHFFFAOYSA-N
XLogP3.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(butanoylamino)-3-ethoxyphenyl]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

5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
5-[4-(2,2-dimethylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 95414294
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
N-[4-(2-bromoethyl)-2-ethoxyphenyl]propanamide
CID 82259220
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
4-[3-(2-ethoxy-4-methylanilino)-3-oxopropyl]benzoic acid
CID 119181144
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 82260260
5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid
CID 82260210
N-[4-(2-bromo-2-methylpropanoyl)-2-ethoxyphenyl]butanamide
CID 82258987
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid
CID 82260432

Frequently Asked Questions

What is the IUPAC name of 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid?
The IUPAC name of 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid (CID 82260151) is 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid.
What is the SMILES notation for 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid?
The canonical SMILES for 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid is CCCC(=O)Nc1ccc(CCCC(=O)O)cc1OCC.
What is the InChIKey of 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid?
The InChIKey is XPKJVSBWKNKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-6-15(18)17-13-10-9-12(7-5-8-16(19)20)11-14(13)21-4-2/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid?
4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid is sourced from PubChem (CID 82260151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).