N-(2-Phenylethyl)acetamide

Details

• Internal ID: 676711b7-9b17-434e-8409-b0241f10581e
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Acetamides > N-acetyl-2-arylethylamines
• IUPAC Name: N-(2-phenylethyl)acetamide
• SMILES (Canonical): CC(=O)NCCC1=CC=CC=C1
• SMILES (Isomeric): CC(=O)NCCC1=CC=CC=C1
• InChI: InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
• InChI Key: MODKMHXGCGKTLE-UHFFFAOYSA-N
• Popularity: 74 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.22 g/mol
• Exact Mass: 163.099714038 g/mol
• Topological Polar Surface Area (TPSA): 29.10 Ų
• XlogP: 1.50

Synonyms

• N-(2-Phenylethyl)acetamide
• 877-95-2
• N-Acetyl-2-phenylethylamine
• N-Acetylphenethylamine
• Acetamide, N-(2-phenylethyl)-
• N-Acetylphenylethylamine
• N-beta-Phenylethylacetamide
• N-(2-phenylethyl)-acetamide
• 2JXY218SZI
• NSC-7177
• CHEBI:18177
• DTXSID50236574
• Acetamide, N-phenethyl
• RefChem:828851
• Acetamide, N-(2-phenylethyl)
• DTXCID80159065
• 212-897-8
• N-(Phenethyl)acetamide
• Acetamide, N-phenethyl-
• MFCD00026177
• N-phenethyl-acetamide
• N-2-Phenethylacetamide
• N-(2-Phenethyl)acetamide
• Glipizide Impurity 1
• NSC 7177
• EINECS 212-897-8
• UNII-2JXY218SZI
• BRN 2208721
• Acetamide,N-(2-phenylethyl)-
• acetylphenethylamine
• 54W
• N-(beta-Phenylethyl)acetamide; N-2-Phenethylacetamide; N-Acetyl-2-phenylethylamine; N-Acetylphenethylamine; N-Phenethylacetamide; NSC 7177
• N-acetylphenethylamide
• Glipizide Impurity 15
• N-Acetyl-phenethylamine
• (2-Phenethyl)acetamide
• N-(2-phenethyl)-acetamide
• SCHEMBL7858
• N-(ss-Phenylethyl)acetamide
• CHEMBL99827
• SCHEMBL426275
• SCHEMBL667358
• SCHEMBL667359
• N-acetyl (2-phenyl)ethylamine
• F0020-1761
• MEGxm0_000495
• orb1992546
• SCHEMBL1524905
• SCHEMBL1561302
• SCHEMBL8393618
• SCHEMBL10677524
• n-(2-phenylethyl)acetamide (en)
• NSC7177
• SBB058213
• STK364324
• AKOS003082304
• GS-0407
• N-(.BETA.-PHENYLETHYL)ACETAMIDE
• NCGC00332267-01
• SY007035
• DB-026826
• NS00039222
• P1066
• ST50405325
• C06746
• AB00172777-03
• AS-871/40170832
• F240701
• T124021
• Q27102876
• Z27761567

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	97.75%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.54%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	88.88%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.24%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	86.35%	90.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.40%	95.50%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	84.46%	96.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.59%	86.33%
CHEMBL5028	O14672	ADAM10	82.97%	97.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.03%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 70143
• LOTUS: LTS0084849
• wikiData: Q27102876