Aglamide C
PubChem CID: 16099510
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| Compound Synonyms | AGLAMIDE C, 3-methyl-N-(1-((E)-3-phenylprop-2-enoyl)pyrrolidin-2-yl)butanamide, 3-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide, CHEMBL490539, 922149-09-5 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H24N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZNTRFYBQZJQJRD-ZHACJKMWSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -4.055 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.493 |
| Compound Name | Aglamide C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 300.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.184 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 300.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.704010581818181 |
| Inchi | InChI=1S/C18H24N2O2/c1-14(2)13-17(21)19-16-9-6-12-20(16)18(22)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3,(H,19,21)/b11-10+ |
| Smiles | CC(C)CC(=O)NC1CCCN1C(=O)/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all