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N-Phenethyl-3-phenyl-acrylamide

PubChem CID: 795855

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Compound Synonyms 103188-43-8, N-Phenethylcinnamamide, (E)-N-Phenethylcinnamamide, 2-Propenamide, 3-phenyl-N-(2-phenylethyl)-, 2-Propenamide, 3-phenyl-N-(2-phenylethyl)-, (2E)-, (E)-N-Phenethylcinnamide, U2RPT6UA5K, 55030-23-4, N-Phenethyl-3-phenyl-acrylamide, (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide, (2E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide, Cinnamoyl-beta-phenethylamine, 3-Phenyl-N-(2-phenylethyl)-2-propenamide, MLS000863653, SMR000440721, 3-phenyl-N-(2-phenylethyl)acrylamide, UNII-U2RPT6UA5K, cid_795855, MEGxp0_002058, CHEMBL1305393, SCHEMBL16473431, BDBM58170, BOSUEWCVNFFBGV-VAWYXSNFSA-N, CHEBI:228423, HMS2271G10, STK407997, (E)-N-phenethyl-3-phenyl-acrylamide, AKOS002987632, CINNAMOYL-.BETA.-PHENETHYLAMINE, F92764, (E)-3-phenyl-N-(2-phenylethyl)-2-propenamide, AB00081214-01, (2E)-3-Phenyl-N-(2-phenylethyl)-2-propenamide, SR-01000205384, (2E)-3-Phenyl-N-(2-phenylethyl)-2-propenamide #, SR-01000205384-1
Topological Polar Surface Area 29.1
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 286.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P46063, P10520, P06746, O75164, Q92830, Q96QE3, Q9UIF8, Q13951, Q9UNA4, Q9Y253, Q9UBT6, P08659, P07378, O75496, P03956, P14780, P08253, Q9NUW8, Q4GZG4, Q03431, P27695
Iupac Name (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
Prediction Hob 1.0
Target Id NPT47, NPT59, NPT280, NPT568, NPT69
Xlogp 3.4
Molecular Formula C17H17NO
Prediction Swissadme 0.0
Inchi Key BOSUEWCVNFFBGV-VAWYXSNFSA-N
Fcsp3 0.1176470588235294
Logs -4.193
Rotatable Bond Count 5.0
Logd 3.703
Compound Name N-Phenethyl-3-phenyl-acrylamide
Prediction Hob Swissadme 0.0
Exact Mass 251.131
Formal Charge 0.0
Monoisotopic Mass 251.131
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 251.32
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.017808221052632
Inchi InChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)/b12-11+
Smiles C1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=CC=C2
Nring 2.0
Defined Bond Stereocenter Count 1.0