3-Phenyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID: 583000
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| Compound Synonyms | 3-PHENYL-N-(2-PHENYLETHYL)PROP-2-ENAMIDE, N-Phenethyl-3-phenylpropeneamide, N-2-phenylethylcinnamamide, CBDivE_015392, SCHEMBL6233942, DEA18843, DB-321245 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenyl-N-(2-phenylethyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H17NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BOSUEWCVNFFBGV-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.627 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.625 |
| Compound Name | 3-Phenyl-N-(2-phenylethyl)prop-2-enamide |
| 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 | -4.017808221052631 |
| 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) |
| Smiles | C1=CC=C(C=C1)CCNC(=O)C=CC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Avena Fatua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helichrysum Fulvum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Piper Sylvaticum (Plant) Rel Props:Source_db:cmaup_ingredients