Epi-589
(2R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
Molecular Identity
Epi-589
(2R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
PubChem CID: 42600375
2D Structure
Properties
C14H19NO4
Molecular Formula
265.30
Molecular Weight
g/mol
265.1314
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
97.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
528
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(C(=O)N)O)CIsomeric SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)C)CC[C@](C)(C(=O)N)O)CSynonyms(19)
epi-5891147883-03-1I4ZSB1Q2DUUNII-I4ZSB1Q2DU(R)-2-Hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamideEPI589(2R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide1,4-Cyclohexadiene-1-butanamide, alpha-hydroxy-alpha,2,4,5-tetramethyl-3,6-dioxo-, (alphaR)-1,4-CYCLOHEXADIENE-1-BUTANAMIDE, .ALPHA.-HYDROXY-.ALPHA.,2,4,5-TETRAMETHYL-3,6-DIOXO-, (.ALPHA.R)-RefChem:137100orb1709752SCHEMBL2059319GTPL13272AKOS040733115DA-52935
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Epi-589
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