N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]butyl]propanediamide
PubChem CID: 10052124
Connections displayed (default: 10).
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| Topological Polar Surface Area | 163.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 763.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]butyl]propanediamide |
| Prediction Hob | 0.0 |
| Xlogp | 1.3 |
| Molecular Formula | C26H32N4O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BEKFYRFZDLLQFP-UHFFFAOYSA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -3.173 |
| Rotatable Bond Count | 15.0 |
| Logd | 0.706 |
| Compound Name | N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]butyl]propanediamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 512.227 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 512.227 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 512.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7483906000000013 |
| Inchi | InChI=1S/C26H32N4O7/c1-37-23-14-18(8-9-22(23)33)15-24(34)27-11-4-5-12-28-25(35)16-26(36)29-13-10-21(32)19-6-2-3-7-20(19)30-17-31/h2-3,6-9,14,17,33H,4-5,10-13,15-16H2,1H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31) |
| Smiles | COC1=C(C=CC(=C1)CC(=O)NCCCCNC(=O)CC(=O)NCCC(=O)C2=CC=CC=C2NC=O)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