4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid

C19H20N2O4 — CID 43877722

IUPAC4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
SMILESCC(NC(=O)c1cccc(NC(=O)CCC(=O)O)c1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-13(14-6-3-2-4-7-14)20-19(25)15-8-5-9-16(12-15)21-17(22)10-11-18(23)24/h2-9,12-13H,10-11H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyYEGXDJQQIXDQTQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds7

About 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid

4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid (PubChem CID 43877722) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
PubChem CID43877722
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
SMILESCC(NC(=O)c1cccc(NC(=O)CCC(=O)O)c1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-13(14-6-3-2-4-7-14)20-19(25)15-8-5-9-16(12-15)21-17(22)10-11-18(23)24/h2-9,12-13H,10-11H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyYEGXDJQQIXDQTQ-UHFFFAOYSA-N
XLogP2.98
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]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

N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
CID 54791898
2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate
CID 43877852
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid?
The IUPAC name of 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid (CID 43877722) is 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid?
The canonical SMILES for 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid is CC(NC(=O)c1cccc(NC(=O)CCC(=O)O)c1)c1ccccc1.
What is the InChIKey of 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid?
The InChIKey is YEGXDJQQIXDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(14-6-3-2-4-7-14)20-19(25)15-8-5-9-16(12-15)21-17(22)10-11-18(23)24/h2-9,12-13H,10-11H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid?
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid is sourced from PubChem (CID 43877722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).