Basic information
- CAS
42971-27-7- Standard SMILES
COc1ccc(CCNC(=O)Cc2ccc3c(c2)OCO3)cc1OC- InChIKey
RPDXVMBCIRAVCV-UHFFFAOYSA-N- Molecular formula
- C19H21NO5
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.14197277
Names & identifiers
- Preferred name
- 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Names & synonyms
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide42971-27-7NSC172156MLS000702957SCHEMBL2742524CHEMBL1502232DTXSID10305856RPDXVMBCIRAVCV-UHFFFAOYSA-NHMS2530M13NSC-172156SMR000229824AP-123/41718218
Show more names
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3,4-methylenedioxyphenyl-acetamide2-(2H-1,3-BENZODIOXOL-5-YL)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]ACETAMIDE
Database identifiers
- CAS
42971-27-7- PubChem CID
- 299335
- DTXSID
DTXSID10305856- ChEMBL
CHEMBL1502232
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Related reactions
2 records
Compound notes
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