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Basic information
- Standard SMILES
CC(=O)OCCN(C(=O)CCCOc1ccc([N+](=O)[O-])c(C(C)=O)c1)C1CCCCC1- InChIKey
DFSTVUJRZPBKGA-UHFFFAOYSA-N- Molecular formula
- C22H30N2O7
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.2053013
Names & identifiers
- Preferred name
- N-cyclohexyl-N-(2-acetoxyethyl)-4-(4-nitro-3-(1-oxoeth-1-yl)phenyl)oxybutanamide
- IUPAC
- 2-[4-(3-acetyl-4-nitrophenoxy)butanoyl-cyclohexylamino]ethyl acetate
Names & synonyms
SCHEMBL7308848DFSTVUJRZPBKGA-UHFFFAOYSA-NN-cyclohexyl-N-(2-acetoxyethyl)-4-(4-nitro-3-(1-oxoeth-1-yl)phenyl)oxybutanamide
Database identifiers
- PubChem CID
- 20198535
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
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