N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Basic information
- CAS
59903-01-4- Standard SMILES
COc1ccc(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC- InChIKey
OMGHIHUPCLYGIL-UHFFFAOYSA-N- Molecular formula
- C21H22N2O5
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.15287181
Names & identifiers
- Preferred name
- N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
Names & synonyms
59903-01-4N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamideNSC165998CBMicro_032774Cambridge id 6048737Oprea1_159869Oprea1_428474MLS000684230CHEMBL1605836DTXSID50304505HMS2621E15STL352943
Show more names
AKOS000534105N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamideNSC-165998SMR000268034BIM-0032747.P001EU-0096003ST50749496SR-01000575933
Database identifiers
- CAS
59903-01-4- PubChem CID
- 296143
- DTXSID
DTXSID50304505- ChEMBL
CHEMBL1605836
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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