N'-[3-(2-aminophenyl)-3-oxopropyl]-N-[4-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]butyl]propanediamide
PubChem CID: 10390615
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| Topological Polar Surface Area | 160.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 703.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[3-(2-aminophenyl)-3-oxopropyl]-N-[4-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]butyl]propanediamide |
| Prediction Hob | 0.0 |
| Xlogp | 1.4 |
| Molecular Formula | C25H32N4O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LWUAWGAZJRITSG-UHFFFAOYSA-N |
| Fcsp3 | 0.36 |
| Logs | -2.884 |
| Rotatable Bond Count | 14.0 |
| Logd | 0.566 |
| Compound Name | N'-[3-(2-aminophenyl)-3-oxopropyl]-N-[4-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]butyl]propanediamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 484.232 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.232 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 484.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.748942885714287 |
| Inchi | InChI=1S/C25H32N4O6/c1-35-22-14-17(8-9-21(22)31)15-23(32)27-11-4-5-12-28-24(33)16-25(34)29-13-10-20(30)18-6-2-3-7-19(18)26/h2-3,6-9,14,31H,4-5,10-13,15-16,26H2,1H3,(H,27,32)(H,28,33)(H,29,34) |
| Smiles | COC1=C(C=CC(=C1)CC(=O)NCCCCNC(=O)CC(=O)NCCC(=O)C2=CC=CC=C2N)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Source_db:cmaup_ingredients