Idrocilamide

Details

• Internal ID: 5337b98b-c0d7-4013-ba28-5778e8a8df06
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides
• IUPAC Name: (E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
• SMILES (Canonical): C1=CC=C(C=C1)C=CC(=O)NCCO
• SMILES (Isomeric): C1=CC=C(C=C1)/C=C/C(=O)NCCO
• InChI: InChI=1S/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)/b7-6+
• InChI Key: OSCTXCOERRNGLW-VOTSOKGWSA-N
• Popularity: 47 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₃NO₂
• Molecular Weight: 191.23 g/mol
• Exact Mass: 191.094628657 g/mol
• Topological Polar Surface Area (TPSA): 49.30 Ų
• XlogP: 0.90

Synonyms

• N-(2-Hydroxyethyl)cinnamamide
• 6961-46-2
• Brolitene
• Srilane
• 35241-61-3
• LCB 29
• 2-Propenamide, N-(2-hydroxyethyl)-3-phenyl-
• (E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
• N-(Hydroxy-2 ethyl)cinnamamide
• CINNAMAMIDE, N-(2-HYDROXYETHYL)-
• NSC-44979
• NSC-58207
• NSC-63229
• (2E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
• N-(2-Hydroxyethyl)cinnamide
• 6C816LUB1O
• Idrocilamide (INN)
• NCGC00164510-01
• NCGC00164510-02
• N-(2-Hydroxyethyl)-3-phenyl-2-propenamide
• IDROCILAMIDE [INN]
• WLN: Q2MV1U1R
• (2E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide, E
• DTXCID20809572
• Idrocilamida
• Idrocilamidum
• Idrocilamide [INN:DCF]
• Idrocilamidum [INN-Latin]
• Idrocilamida [INN-Spanish]
• CAS-6961-46-2
• LCB. 29
• (E)-N-(2-Hydroxyethyl)cinnamamid
• EINECS 230-155-1
• NSC 44979
• NSC 58207
• NSC 63229
• DTXSID8046404
• UNII-6C816LUB1O
• N-(Hydroxy-2 ethyl)cinnamamide [French]
• N-(2-Hydroxyethyl)-3-phenylpropenamide
• Srilane (TN)
• (Z)-N-(2-hydroxyethyl)-3-phenylacrylamide
• IDROCILAMIDE [MI]
• IDROCILAMIDE [MART.]
• IDROCILAMIDE [WHO-DD]
• CHEMBL102358
• SCHEMBL1171234
• SCHEMBL1171237
• SCHEMBL8090977
• CHEBI:134842
• HMS1580P20
• EX-A1480
• NSC44979
• NSC58207
• NSC63229
• Tox21_112145
• AKOS003239171
• AKOS025149236
• Tox21_112145_1
• DB13297
• N-(2-hydroxyethyl)-3-phenylprop-2-enamide
• (2E)-N-(2-Hydroxyethyl)-3-phenylacrylamide
• C13775
• D08063
• EN300-1703946
• A846450
• W-104614
• Z31725233

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.84%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.72%	96.00%
CHEMBL2581	P07339	Cathepsin D	91.74%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.21%	95.56%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	87.77%	89.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.86%	86.33%
CHEMBL221	P23219	Cyclooxygenase-1	85.75%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.58%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.65%	99.17%
CHEMBL5028	O14672	ADAM10	82.34%	97.50%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	81.46%	96.67%

Plants that contains it

• Erythrophleum chlorostachys

Cross-Links

• PubChem: 1550874
• LOTUS: LTS0225980
• wikiData: Q682532