Molecular Identity
Diethadione
5,5-diethyl-1,3-oxazinane-2,4-dione
PubChem CID: 12798
Diethadione is an oxazinane.
2D Structure
Properties
C8H13NO3
Molecular Formula
171.19
Molecular Weight
g/mol
171.0895
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
55.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
208
Complexity
SMILES
Canonical SMILES
SMILES: CCC1(COC(=O)NC1=O)CCIsomeric SMILES
SMILES: CCC1(COC(=O)NC1=O)CCSynonyms(20)
DiethadioneDioxone702-54-5DIETHADIONDietadionaDietadione [Italian]DiethadionumDietadioneDietadiona [INN-Spanish]Diethadionum [INN-Latin]Diethadione [INN:BAN:DCF]HSDB 5514UNII-Z0SPD4Z01XEINECS 211-867-1NSC 169418
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Diethadione
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