Molecule

2-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxamide

AlkaPlorer ID: AK319235

Synonym: None

IUPAC Name: (1S,2S,4aR,8aR)-2-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxamide

Structure

SMILES: CC(C)CN=C(O)[C@H]1[C@@H]2CCCC[C@@H]2C=C[C@@H]1C1=CC=C2OCOC2=C1

InChI: InChI=1S/C22H29NO3/c1-14(2)12-23-22(24)21-17-6-4-3-5-15(17)7-9-18(21)16-8-10-19-20(11-16)26-13-25-19/h7-11,14-15,17-18,21H,3-6,12-13H2,1-2H3,(H,23,24)/t15-,17-,18-,21+/m1/s1

InChIKey: XXCDOPSOGKREDB-FLTJSSMESA-N

Reference

PubChem CID: 101821164

NPASS: NPC224650

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces coelicoflavus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Euphorbia serrata	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia arborescens	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vitis coignetiae	Vitis	Vitaceae	Vitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solandra guttata	Solandra	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tabernaemontana rupicola	Tabernaemontana	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Caragana pygmaea	Caragana	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 355.47800000000007

TPSA？: 51.05000000000001

MolLogP？: 5.103800000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi