4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid

C17H16N2O4 — CID 722000

IUPAC4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)17(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyXNXAMWFXKSNVMZ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.74
Rot. Bonds6

About 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid

4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid (PubChem CID 722000) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid
PubChem CID722000
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)17(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyXNXAMWFXKSNVMZ-UHFFFAOYSA-N
XLogP2.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid?
The IUPAC name of 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid (CID 722000) is 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid is O=C(O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid?
The InChIKey is XNXAMWFXKSNVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)17(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid?
4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoic acid is sourced from PubChem (CID 722000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).