N-[2-[3,5-Dibromo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide; Monoiodo analogue
AlkaPlorer ID: AK061029
Synonym: N-[2-[3-Bromo-5-iodo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide
IUPAC Name: N-[3-[2-bromo-4-[2-[[2-(4-hydroxyphenyl)acetyl]amino]ethyl]-6-iodophenoxy]propyl]-3-methylbut-2-enamide
Structure
SMILES: CC(C)=CC(O)=NCCCOC1=C(Br)C=C(CCN=C(O)CC2=CC=C(O)C=C2)C=C1I
InChI: InChI=1S/C24H28BrIN2O4/c1-16(2)12-22(30)27-9-3-11-32-24-20(25)13-18(14-21(24)26)8-10-28-23(31)15-17-4-6-19(29)7-5-17/h4-7,12-14,29H,3,8-11,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKey: YXQGQRPZFALXGL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Iotrochota birotulata | Iotrochota | Iotrochotidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 615.3060000000003
TPSA？: 94.64
MolLogP？: 6.192600000000006
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|