2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

HCID 299335

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

Related reactions

2 records

Compound notes

Loading…