Oxalic acid, bis(2-(2-(benzylcarbamoyl)ethyl)hydrazide)
Basic information
- CAS
101502-01-6- Standard SMILES
O=C(CCNNC(=O)C(=O)NNCCC(=O)NCc1ccccc1)NCc1ccccc1- InChIKey
VVSRWRWIBRDYPQ-UHFFFAOYSA-N- Molecular formula
- C22H28N6O4
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.2172034
Names & identifiers
- Preferred name
- Oxalic acid, bis(2-(2-(benzylcarbamoyl)ethyl)hydrazide)
- IUPAC
- N-benzyl-3-[2-[2-[2-[3-(benzylamino)-3-oxopropyl]hydrazinyl]-2-oxoacetyl]hydrazinyl]propanamide
- English name
- N-benzyl-3-[2-[[2-(benzylcarbamoyl)ethylamino]carbamoylformyl]hydrazin yl]propanamide
- Molecular formula
- C22H28N6O4
- Molecular weight
- 440.5
Names & synonyms
101502-01-6BRN 2685062OXALIC ACID, BIS(2-(2-(BENZYLCARBAMOYL)ETHYL)HYDRAZIDE)DTXSID50143971RefChem:367078DTXCID4066462N-benzyl-3-[2-[2-[2-[3-(benzylamino)-3-oxopropyl]hydrazinyl]-2-oxoacetyl]hydrazinyl]propanamide3,3'-(Oxalylbis(hydrazine-2,1-diyl))bis(N-benzylpropanamide)N-benzyl-3-[2-[[2-(benzylcarbamoyl)ethylamino]carbamoylformyl]hydrazin yl]propanamide3,3'-[(1,2-Dioxoethane-1,2-diyl)di(hydrazine-2,1-diyl)]bis(N-benzylpropanamide)Ethanedioic acid, 1,2-bis[2-[3-oxo-3-[(phenylmethyl)amino]propyl]hydrazide]
Database identifiers
- CAS
101502-01-6- PubChem CID
- 58478
- DTXSID
DTXSID50143971- Nikkaji
- J64.548F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Melting point
- 216.5 · 216.5-218.0 °C
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.43(Predicted)
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Compound notes
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