N-[(4-hydroxyphenyl)methyl]acetamide

Details

• Internal ID: dfe69b16-930a-47fe-a315-b972bb689a61
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: N-[(4-hydroxyphenyl)methyl]acetamide
• SMILES (Canonical): CC(=O)NCC1=CC=C(C=C1)O
• SMILES (Isomeric): CC(=O)NCC1=CC=C(C=C1)O
• InChI: InChI=1S/C9H11NO2/c1-7(11)10-6-8-2-4-9(12)5-3-8/h2-5,12H,6H2,1H3,(H,10,11)
• InChI Key: KVIZYCBDCWXNOQ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19 g/mol
• Exact Mass: 165.078978594 g/mol
• Topological Polar Surface Area (TPSA): 49.30 Ų
• XlogP: 0.60

Synonyms

• 34185-04-1
• N-(4-hydroxybenzyl)acetamide
• N-P-Hydroxybenzylacetamide
• CHEMBL445337
• SCHEMBL3612557
• BS-32302

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
CHEMBL2581	P07339	Cathepsin D	97.43%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.21%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.86%	96.09%
CHEMBL4208	P20618	Proteasome component C5	86.91%	90.00%
CHEMBL3401	O75469	Pregnane X receptor	86.89%	94.73%
CHEMBL4040	P28482	MAP kinase ERK2	86.80%	83.82%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.07%	95.50%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	82.59%	93.10%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.21%	99.17%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	82.20%	89.67%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.40%	95.56%

Plants that contains it

• Glycine max

Cross-Links

• PubChem: 458498
• LOTUS: LTS0052372
• wikiData: Q105146550