Homodihydrocapsaicin II
PubChem CID: 11688359
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| Compound Synonyms | Homodihydrocapsaicin II, 71239-21-9, N-(4-Hydroxy-3-methoxybenzyl)-8-methyldecanamide, DihydroHomocapsaicinII, Dihydro Homocapsaicin II, SCHEMBL1703135, NS00094415, G90783, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyldecanamide, Homodihydrocapsaicin II, N-(4-Hydroxy-3-methoxybenzyl)-8-methyldecanamide |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldecanamide |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Is Pains | False |
| Molecular Formula | C19H31NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOBFKCLUUUDTQE-UHFFFAOYSA-N |
| Fcsp3 | 0.631578947368421 |
| Rotatable Bond Count | 11.0 |
| Compound Name | Homodihydrocapsaicin II |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 321.23 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 321.23 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 321.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.771401678260869 |
| Inchi | InChI=1S/C19H31NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22) |
| Smiles | CCC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients