Basic information
- CAS
374562-66-0- Standard SMILES
CC(C)C(NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)N1CCOCC1- InChIKey
PXKNRUFZGHSICD-UHFFFAOYSA-N- Molecular formula
- C21H31N3O4
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.23145648
Names & identifiers
- Preferred name
- 2-(2,2-dimethylpropanoylamino)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
- IUPAC
- 2-(2,2-dimethylpropanoylamino)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
Names & synonyms
2-(2,2-dimethylpropanoylamino)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamideOprea1_791745MLS002251632CHEMBL1881183DTXSID501328343HMS3046G16AKOS034452417374562-66-0SMR001314020SR-01000026837SR-01000026837-1Z56772191
Show more names
2-(2,2-dimethylpropanamido)-N-[3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]benzamide
Database identifiers
- CAS
374562-66-0- PubChem CID
- 4420135
- DTXSID
DTXSID501328343- ChEMBL
CHEMBL1881183
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 564
Experimental & physicochemical properties
Solubility37 [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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