N-cinnamoyltyramine
PubChem CID: 5315911
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| Compound Synonyms | N-cinnamoyltyramine, cinnamoyltyramine, N-trans-Cinnamoyltyramine, CM93V4SY32, trans-cinnamoyl-p-hydroxybenzenethylamine, UNII-CM93V4SY32, 103188-44-9, CHEMBL417389, (2E)-N-(2-(4-Hydroxyphenyl)ethyl)-3-phenyl-2-propenamide, CHEBI:177872, (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide, (2E)-N-[2-(4-HYDROXYPHENYL)ETHYL]-3-PHENYLPROP-2-ENAMIDE, (2E)-N-(2-(4-hydroxyphenyl)ethyl)-3-phenylprop-2-enamide, (E)-N-(2-(4-hydroxyphenyl)ethyl)-3-phenyl-2-propenamide, (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenyl-2-propenamide, (2E)-N-[2-(4-Hydroxyphenyl)ethyl]-3-phenyl-2-propenamide, Cinnamamide, N-(p-hydroxyphenethyl)-, SCHEMBL22702505, KGOYCHSKGXJDND-DHZHZOJOSA-N, BDBM50069771, AKOS010246127, EN300-245816, EN300-6496383, (2E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylacrylamide, Z728882330, (E)-N-[2-(4-Hydroxy-phenyl)-ethyl]-3-phenyl-acrylamide, (2E)-N-[2-(4-Hydroxyphenyl)ethyl]-3-phenyl-2-propenamide # |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q00959, Q00960, Q00961 |
| Iupac Name | (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KGOYCHSKGXJDND-DHZHZOJOSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.558 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.329 |
| Compound Name | N-cinnamoyltyramine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 267.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 267.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 267.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.873133599999999 |
| Inchi | InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+ |
| Smiles | C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Paeonia Veitchii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rhamnus Procumbens (Plant) Rel Props:Source_db:npass_chem_all