Basic information
- CAS
7400-52-4- Standard SMILES
CC(C)(C)C(=O)C(C(c1ccccc1)N1CCOCC1)N1CCOCC1- InChIKey
QZUIQRACPQHJJM-UHFFFAOYSA-N- Molecular formula
- C21H32N2O3
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.24129289
Names & identifiers
- Preferred name
- 4,4-Dimethyl-1,2-di(4-morpholinyl)-1-phenyl-3-pentanone
- IUPAC
- 4,4-dimethyl-1,2-dimorpholin-4-yl-1-phenylpentan-3-one
Names & synonyms
NSC335717400-52-4MLS0026078454,4-Dimethyl-1,2-dimorpholino-1-phenylpentan-3-oneNSC-335714,4-dimethyl-1,2-di(4-morpholinyl)-1-phenyl-3-pentanoneCHEMBL1990495SCHEMBL14286194DTXSID20283818HMS3078B07NCI60_002941SMR001526612
Show more names
4,4-DIMETHYL-1,2-BIS(MORPHOLIN-4-YL)-1-PHENYLPENTAN-3-ONE
Database identifiers
- CAS
7400-52-4- PubChem CID
- 234166
- DTXSID
DTXSID20283818- ChEMBL
CHEMBL1990495
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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