N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide
Basic information
- CAS
721898-21-1- Standard SMILES
N#Cc1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1- InChIKey
WIQPWMSXGODYJV-UHFFFAOYSA-N- Molecular formula
- C16H19N3O3
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.14264148
Names & identifiers
- Preferred name
- N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide
- IUPAC
- N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide
Names & synonyms
N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazideMLS002246169CHEMBL3188883DTXSID501331043HMS3077B08AKOS034010222721898-21-1SMR001309791SR-01000037650N'-[(4-Cyanophenoxy)acetyl]cyclohexanecarbohydrazideSR-01000037650-1Z27461929
Database identifiers
- CAS
721898-21-1- PubChem CID
- 2407482
- DTXSID
DTXSID501331043- ChEMBL
CHEMBL3188883
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Solubility34.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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