(3R,6R)-6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione
PubChem CID: 11243273
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,6R)-6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UTROHFPONJQOAG-ZIAGYGMSSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.652 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.645 |
| Compound Name | (3R,6R)-6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 291.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 291.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3451799714285717 |
| Inchi | InChI=1S/C16H21NO4/c1-10(2)14-16(19)21-13(15(18)17(14)3)9-11-5-7-12(20-4)8-6-11/h5-8,10,13-14H,9H2,1-4H3/t13-,14-/m1/s1 |
| Smiles | CC(C)[C@@H]1C(=O)O[C@@H](C(=O)N1C)CC2=CC=C(C=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Azadirachta Indica (Plant) Rel Props:Source_db:cmaup_ingredients