Basic information
- CAS
749221-44-1- Standard SMILES
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
DGWKOHRBKAZFQL-UHFFFAOYSA-N- Molecular formula
- C17H20N4O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.14336975
Names & identifiers
- Preferred name
- 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
- IUPAC
- 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
Names & synonyms
MLS002248606CHEMBL1890091DTXSID201319903HMS3090C192-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamideAKOS033305058749221-44-1SMR001316066AB00714493-01SR-01000036269SR-01000036269-1Z13874503
Database identifiers
- CAS
749221-44-1- PubChem CID
- 3976162
- DTXSID
DTXSID201319903- ChEMBL
CHEMBL1890091
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 586
Experimental & physicochemical properties
Solubility13.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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