Basic information
- CAS
602322-28-1- Standard SMILES
CCc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1- InChIKey
NHVXEKQETXQLBK-UHFFFAOYSA-N- Molecular formula
- C23H30N4O5
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- N-(2-Ethyl-phenyl)-N'-(5-methyl-isoxazol-3-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
- IUPAC
- N'-(2-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
- English name
- Butanediamide, N-(2-ethylphenyl)-N-(5-methyl-3-isoxazolyl)-N-[2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- (9CI)
- Molecular formula
- C23H30N4O5
- Molecular weight
- 442.51
Names & synonyms
ASN 05571740MLS001223599CHEMBL1371461HMS2919G03AKOS000773854SMR000601037AB00836957-06SR-01000327592SR-01000327592-1N-(2-Ethyl-phenyl)-N'-(5-methyl-isoxazol-3-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamideButanediamide, N1-(2-ethylphenyl)-N4-(5-methyl-3-isoxazolyl)-N1-[2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]-Butanediamide, N-(2-ethylphenyl)-N-(5-methyl-3-isoxazolyl)-N-[2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- (9CI)
Database identifiers
- CAS
602322-28-1- ChEMBL
CHEMBL1371461
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Boiling point
- 754.504 · 754.504±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.745 · 12.745±0.70(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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