Basic information
- Standard SMILES
CC1=C(C)C(=O)C(CCC(C)(O)C(=O)NCCOCCO)=C(C)C1=O- InChIKey
DCGQEWREDCYBSF-UHFFFAOYSA-N- Molecular formula
- C18H27NO6
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.18383758
Names & identifiers
- Preferred name
- 2-Hydroxy-n-(2-(2-hydroxyethoxy)ethyl)-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide
- IUPAC
- 2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
Names & synonyms
SCHEMBL1188752DCGQEWREDCYBSF-UHFFFAOYSA-N2-hydroxy-N- (2-(2-hydroxyethoxy)ethyl)-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide2-hydroxy-n-(2-(2-hydroxyethoxy)ethyl)-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide
Database identifiers
- PubChem CID
- 42599388
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 619
Related reactions
3 records
Compound notes
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