Lansamide I
PubChem CID: 11242495
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 77527-97-0, (E,E)-Lansamide I, Lansamide I, (2E)-N-methyl-3-phenyl-N-[(E)-2-phenylethenyl]prop-2-enamide, (E)-N-methyl-3-phenyl-N-[(E)-2-phenylethenyl]prop-2-enamide, N-Methyl-N-cis-styrylcinnamamide, DTXSID401183255, (2E)-N-Methyl-3-phenyl-N-[(1E)-2-phenylethenyl]-2-propenamide |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCCC1CCCCC1)CCC1CCCCC1 |
| Deep Smiles | CNC=O)/C=C/cccccc6)))))))))/C=C/cccccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Cinnamic acids and derivatives |
| Description | Isolated from seeds of Clausena lansium (wampee). Lansiumamide B is found in fruits. |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)NCCC1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-methyl-3-phenyl-N-[(E)-2-phenylethenyl]prop-2-enamide |
| Class | Cinnamic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.8 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H17NO |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccccc1)NC=Cc1ccccc1 |
| Inchi Key | VJGRWRRIAJQNFU-SQIWNDBBSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | Lansiumamide B, N-Methyl-N-cis-styrylcinnamamide, N-Methyl-N-styrylcinnamamide, Lansiumamide b, lansamide i, lansiumamide b, lansiumamide b(n-methyl n-cis-styryl cinnamamide) |
| Esol Class | Soluble |
| Functional Groups | c/C=C/C(=O)N(C)/C=C/c |
| Compound Name | Lansamide I |
| Kingdom | Organic compounds |
| Exact Mass | 263.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.131 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 263.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14+ |
| Smiles | CN(/C=C/C1=CC=CC=C1)C(=O)/C=C/C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cinnamic acids and derivatives |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Anisata (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Reference:ISBN:9788172362133; ISBN:9788185042138