4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid

C21H25NO4 — CID 119247424

IUPAC4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
SMILESCCc1ccc(CC(=O)NCc2ccc(OCCCC(=O)O)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-2-16-5-7-17(8-6-16)14-20(23)22-15-18-9-11-19(12-10-18)26-13-3-4-21(24)25/h5-12H,2-4,13-15H2,1H3,(H,22,23)(H,24,25)
InChIKeyFAQKFTYYQBFJII-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.35
Rot. Bonds10

About 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid

4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid (PubChem CID 119247424) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
PubChem CID119247424
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
SMILESCCc1ccc(CC(=O)NCc2ccc(OCCCC(=O)O)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-2-16-5-7-17(8-6-16)14-20(23)22-15-18-9-11-19(12-10-18)26-13-3-4-21(24)25/h5-12H,2-4,13-15H2,1H3,(H,22,23)(H,24,25)
InChIKeyFAQKFTYYQBFJII-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]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-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
4-[4-[[[2-(2,5-dimethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247331
4-[4-[(2-ethylbutanoylamino)methyl]phenoxy]butanoic acid
CID 119247314
4-oxo-4-[(4-pentoxyphenyl)methylamino]butanoic acid
CID 9151485
4-[4-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]butanoic acid
CID 120527515
N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
4-[4-[(2-methylpentanoylamino)methyl]phenoxy]butanoic acid
CID 119247320
4-[4-[[(2-ethoxy-3-fluorobenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247043
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
4-[4-[[(2,3-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119246992
4-[4-[[[3-(methylcarbamoyl)benzoyl]amino]methyl]phenoxy]butanoic acid
CID 120527440
4-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247315

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid (CID 119247424) is 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid is CCc1ccc(CC(=O)NCc2ccc(OCCCC(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid?
The InChIKey is FAQKFTYYQBFJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-16-5-7-17(8-6-16)14-20(23)22-15-18-9-11-19(12-10-18)26-13-3-4-21(24)25/h5-12H,2-4,13-15H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid?
4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid has a molecular weight of 355.43 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid is sourced from PubChem (CID 119247424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).