Cinnamamide
PubChem CID: 5273472
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| Compound Synonyms | CINNAMAMIDE, 621-79-4, trans-Cinnamamide, 22031-64-7, 3-Phenylacrylamide, Cinnamic amide, 3-Phenyl-2-propenamide, (E)-3-phenylprop-2-enamide, (E)-Cinnamamide, 3-Phenylpropenamide, Cinnamide, (2E)-3-Phenyl-2-propenamide, 2-Benzylideneacetamide, trans-3-Phenylacrylamide, Cinnamamide, (E)-, (2E)-3-phenylprop-2-enamide, trans-Cinnamoylamine, Cinnamamide, predominantly trans, trans Cinnamic acid amide, 2-Propenamide, 3-phenyl-, 3-Phenyl-acrylamide, MFCD00008033, 2-Propenamide, 3-phenyl-, (2E)-, Y0JET56H7N, Cinnamamide (Predominantly trans), 2-Propenamide, 3-phenyl-, (E)-, trans-.beta.-(Aminocarbonyl)styrene, NSC-32953, NSC-244944, Ginnamic acid amide, 2-Propenamide, 3-phenyl-, (Z)-, EINECS 210-707-8, NSC 32953, UNII-Y0JET56H7N, BRN 2040577, coumaramide, AI3-03764, CINNANAMIDE, ZimtsA currencyureamid, (E)-3-phenylacrylamide, trans-cinnamic acid amide, (E)-3-phenyl-acrylamide, WLN: ZV1U1R, Cinnamamide(Predominantlytrans), CHEMBL5280551, CHEBI:23246, CHEBI:76320, trans-beta-(Aminocarbonyl)styrene, DTXSID901035045, (2E)-3-Phenyl-2-propenamide #, NSC32953, AC7815, NSC244944, AKOS005071667, AS-0058, Cinnamamide, predominantly trans, 97%, CS-W018211, FC64888, HY-W017495, NSC 244944, MITOMYCIN IMPURITY A [EP IMPURITY], 3-PHENYL-2-PROPENOIC AMIDE, (E)-, NS00014396, U-2422, (E)-3-Phenylprop-2-enamide (trans-Cinnamamide), Q63390539, DH6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | NC=O)/C=C/cccccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Cinnamic acids and derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cinnamic acid amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-phenylprop-2-enamide |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H9NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | APEJMQOBVMLION-VOTSOKGWSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.31 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.234 |
| Synonyms | cinnamamide |
| Esol Class | Very soluble |
| Functional Groups | c/C=C/C(N)=O |
| Compound Name | Cinnamamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.068 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.4227337636363635 |
| Inchi | InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+ |
| Smiles | C1=CC=C(C=C1)/C=C/C(=O)N |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Piper Taiwanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Reseda Luteola (Plant) Rel Props:Reference:ISBN:9788185042084