Fragilamide

AlkaPlorer ID: AK298641

Synonym: 2-[[(4-Hydroxyphenyl)methyl]methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-4-methylhexanamide 

IUPAC Name: 2-[(4-hydroxyphenyl)methyl-methylamino]-N-[(E)-2-(1H-indol-3-yl)ethenyl]-4-methylhexanamide

Structure

SMILES: CCC(C)CC(C(=O)N/C=C/C1=CNC2=CC=CC=C12)N(C)CC1=CC=C(O)C=C1

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InChI: InChI=1S/C25H31N3O2/c1-4-18(2)15-24(28(3)17-19-9-11-21(29)12-10-19)25(30)26-14-13-20-16-27-23-8-6-5-7-22(20)23/h5-14,16,18,24,27,29H,4,15,17H2,1-3H3,(H,26,30)/b14-13+

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InChIKey: WLLVVSXRRHFJGE-BUHFOSPRSA-N

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Reference

PubChem CID: 101248179

CAS: 87168-33-0

Properties Information

Molecule Weight: 405.5420000000002

TPSA: 68.36

MolLogP: 4.897200000000005

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information