Fenalamide

Details

• Internal ID: 5320498c-c51a-4ef0-b52b-670fafe9913e
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenylacetamides
• IUPAC Name: ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate
• SMILES (Canonical): CCC(C1=CC=CC=C1)(C(=O)NCCN(CC)CC)C(=O)OCC
• SMILES (Isomeric): CCC(C1=CC=CC=C1)(C(=O)NCCN(CC)CC)C(=O)OCC
• InChI: InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)
• InChI Key: RMQKPRRJSKFBRU-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₀N₂O₃
• Molecular Weight: 334.50 g/mol
• Exact Mass: 334.22564282 g/mol
• Topological Polar Surface Area (TPSA): 58.60 Ų
• XlogP: 3.10

Synonyms

• 4551-59-1
• Femamide
• ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate
• Spasmamide
• Fenalamide (USAN)
• 9D63492A3N
• Ethyl N-(2-(diethylamino)ethyl)-2-ethyl-2-phenylmalonamate
• FENALAMIDE [USAN]
• Phemamide; SH 30858; Sch 5706; Spasmamide
• Fenalamida
• Fenalamidum
• Fenalamide [USAN:INN]
• Fenalamidum [INN-Latin]
• Fenalamida [INN-Spanish]
• Sch 5706
• EINECS 224-917-2
• BRN 3992093
• Ethyl N-[2-(diethylamino)ethyl]-2-ethyl-2-phenylmalonamate
• Fenalamid
• SH 30858
• UNII-9D63492A3N
• FENALAMIDE [MI]
• FENALAMIDE [INN]
• Phenylaethylmalonsaeure-aethylester-diaethylaminoaethyl-amid [German]
• N-(2-(Diethylamino)ethyl)-2-ethyl-2-phenylmalonamic acid ethyl ester
• FENALAMIDE [MART.]
• Benzeneacetic acid, alpha-(((2-(diethylamino)ethyl)amino)carbonyl)-alpha-ethyl-, ethyl ester
• FENALAMIDE [WHO-DD]
• SCHEMBL24656
• CHEMBL2106562
• Ethyl N-(2-diethylaminoethyl)-2-phenyl-2-ethylmalonate
• SCHEMBL21065399
• DTXSID60863416
• Phenylaethylmalonsaeure-aethylester-diaethylaminoaethyl-amid
• CHEBI:135421
• RMQKPRRJSKFBRU-UHFFFAOYSA-N
• MALONAMIC ACID, N-(2-(DIETHYLAMINO)ETHYL)-2-ETHYL-2-PHENYL-, ETHYL ESTER
• D04138
• Q27272382
• ethyl N-(2-diethylaminoethyl) 2-phenyl-2-ethylmalonamate
• Ethyl 2-{[2-(diethylamino)ethyl]carbamoyl}-2-phenylbutanoate
• BENZENEACETIC ACID, .ALPHA.-(((2-(DIETHYLAMINO)ETHYL)AMINO)CARBONYL)-.ALPHA.-ETHYL-, ETHYL ESTER

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	96.58%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.11%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	92.36%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.75%	86.33%
CHEMBL221	P23219	Cyclooxygenase-1	90.03%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.35%	95.56%
CHEMBL5028	O14672	ADAM10	85.38%	97.50%
CHEMBL3959	P16083	Quinone reductase 2	84.61%	89.49%
CHEMBL2664	P23526	Adenosylhomocysteinase	83.06%	86.67%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.56%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 20683
• LOTUS: LTS0214772
• wikiData: Q27272382