4-(2-Aminoethyl)phenol; O-(3-Methyl-2-butenyl), N-benzoyl
AlkaPlorer ID: AK049905
Synonym: Hortiamide
IUPAC Name: N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]benzamide
Structure
SMILES: CC(C)=CCOC1=CC=C(CCN=C(O)C2=CC=CC=C2)C=C1
InChI: InChI=1S/C20H23NO2/c1-16(2)13-15-23-19-10-8-17(9-11-19)12-14-21-20(22)18-6-4-3-5-7-18/h3-11,13H,12,14-15H2,1-2H3,(H,21,22)
InChIKey: YTMPRFNRITVZFV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia buxifolia | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Hortia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 309.409
TPSA？: 41.82
MolLogP？: 4.578900000000004
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 4900.0 | nM | 10.1016/j.ejmech.2021.113165 |