Basic information
- CAS
1250-37-9- Standard SMILES
COc1ccc(CCN2CCN(c3ccccc3NC(C)=O)CC2)cc1OC- InChIKey
JTSYZEMBBZSXBR-UHFFFAOYSA-N- Molecular formula
- C22H29N3O3
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.2208918
Names & identifiers
- Preferred name
- Acetanilide, 2'-(4-(3,4-dimethoxyphenethyl)-1-piperazinyl)-
- IUPAC
- N-[2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]phenyl]acetamide
Names & synonyms
BRN 0630051ACETANILIDE, 2'-(4-(3,4-DIMETHOXYPHENETHYL)-1-PIPERAZINYL)-1250-37-92'-(4-(3,4-Dimethoxyphenethyl)-1-piperazinyl)acetanilideDTXSID301545455-23-02-00161 (Beilstein Handbook Reference)RefChem:315679DTXCID3077036N-(2-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}phenyl)acetamide
Database identifiers
- CAS
1250-37-9- PubChem CID
- 14731
- DTXSID
DTXSID30154545- Nikkaji
- J73.574D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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