4-(4-Oxo-4-phenyl-butyrylamino)-benzoic acid

• Catalog Number: ACMA00001159
• Category: Amines
• Molecular Weight: 297.31
• Molecular Formula: C₁₆H₃₇NP₂
• Hazard Statements: H314-H400
• RIDADR: UN 3077 9 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C17H15NO4.

What are the synonyms of the compound?

The synonyms of the compound are 4-(4-Oxo-4-phenyl-butyrylamino)-benzoic acid, 333415-72-8, 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid, 4-(4-oxo-4-phenylbutanamido)benzoic acid, Oprea1_004585, and more.

What is the molecular weight of the compound?

The molecular weight of the compound is 297.30 g/mol.

When was the compound created and modified?

The compound was created on July 8, 2005, and last modified on November 25, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C17H15NO4/c19-15(12-4-2-1-3-5-12)10-11-16(20)18-14-8-6-13(7-9-14)17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22).

What is the InChIKey of the compound?

The InChIKey of the compound is QDZIGIDRPFIIAJ-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.9.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 2.