4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid

C19H20N2O4 — CID 902681

IUPAC4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)O)c2)cc1C
InChIInChI=1S/C19H20N2O4/c1-12-6-7-16(10-13(12)2)21-19(25)14-4-3-5-15(11-14)20-17(22)8-9-18(23)24/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyIARLLSRCUYMHIM-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.36
Rot. Bonds6

About 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid

4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid (PubChem CID 902681) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid
PubChem CID902681
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)O)c2)cc1C
InChIInChI=1S/C19H20N2O4/c1-12-6-7-16(10-13(12)2)21-19(25)14-4-3-5-15(11-14)20-17(22)8-9-18(23)24/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyIARLLSRCUYMHIM-UHFFFAOYSA-N
XLogP3.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid (CID 902681) is 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid is Cc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)O)c2)cc1C.
What is the InChIKey of 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The InChIKey is IARLLSRCUYMHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-6-7-16(10-13(12)2)21-19(25)14-4-3-5-15(11-14)20-17(22)8-9-18(23)24/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoic acid is sourced from PubChem (CID 902681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).