[(2S,3S,4S)-3-[[butyl(methyl)amino]methyl]-4-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
AlkaPlorer ID: AK531434
Synonym: None
IUPAC Name: [(2S,3S,4S)-3-[[butyl(methyl)amino]methyl]-4-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
Structure
SMILES: CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)C2=CC(C)=CC(C)=C2)[C@@H]1CO
InChI: InChI=1S/C22H36N2O2/c1-6-8-9-23(5)14-20-18(7-2)13-24(21(20)15-25)22(26)19-11-16(3)10-17(4)12-19/h10-12,18,20-21,25H,6-9,13-15H2,1-5H3/t18-,20-,21-/m1/s1
InChIKey: TXOXYVYGKQQIBB-HMXCVIKNSA-N
Reference
PubChem CID: 138990781
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 360.5420000000001
TPSA？: 43.78
MolLogP？: 3.494440000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|