Basic information
- CAS
70096-13-8- Standard SMILES
CC(C)NC[C@@H](O)CO[C@H]1c2ccccc2C(=O)N1c1ccccc1- InChIKey
KUHVZVZAYMLXGA-UZLBHIALSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Overview
structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Nofedone
- IUPAC
- (3S)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
Names & synonyms
Nofedone70096-13-83-(2-Hydroxy-3-(isopropylamino)propoxy)-2-phenyl-1-isoindolinone1H-Isoindol-1-one, 2,3-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-phenyl-, (R*,S*)-(+-)-RefChem:166388RP 30356
Database identifiers
- CAS
70096-13-8- PubChem CID
- 155359
- Nikkaji
- J312.515G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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