N,N'-bis(3-hydroxy-5-methylphenyl)oxamide

Details

• Internal ID: 6b9bed02-44ac-4c75-aeb6-c69cf315b64f
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid amides
• IUPAC Name: N,N'-bis(3-hydroxy-5-methylphenyl)oxamide
• SMILES (Canonical): CC1=CC(=CC(=C1)O)NC(=O)C(=O)NC2=CC(=CC(=C2)C)O
• SMILES (Isomeric): CC1=CC(=CC(=C1)O)NC(=O)C(=O)NC2=CC(=CC(=C2)C)O
• InChI: InChI=1S/C16H16N2O4/c1-9-3-11(7-13(19)5-9)17-15(21)16(22)18-12-4-10(2)6-14(20)8-12/h3-8,19-20H,1-2H3,(H,17,21)(H,18,22)
• InChI Key: OZRRZLVTXYZFKD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆N₂O₄
• Molecular Weight: 300.31 g/mol
• Exact Mass: 300.11100700 g/mol
• Topological Polar Surface Area (TPSA): 98.70 Ų
• XlogP: 2.40

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3401	O75469	Pregnane X receptor	89.59%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.77%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.78%	91.11%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	86.59%	81.11%
CHEMBL4208	P20618	Proteasome component C5	85.10%	90.00%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.35%	94.42%
CHEMBL340	P08684	Cytochrome P450 3A4	82.85%	91.19%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.74%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.59%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.69%	99.23%

Plants that contains it

• Peganum harmala

Cross-Links

• PubChem: 14355694
• LOTUS: LTS0031539
• wikiData: Q105204066