Basic information
- CAS
685115-78-0- Standard SMILES
O=C(CNCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2- InChIKey
LZMQJTGXLQAFDQ-UHFFFAOYSA-N- Molecular formula
- C18H18N2O5
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.12157168
Names & identifiers
- Preferred name
- N-(1,3-Benzodioxol-5-ylmethyl)-2-[(1,3-benzodioxol-5-ylmethyl)amino]acetamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzodioxol-5-ylmethylamino)acetamide
Names & synonyms
CHEMBL5484374DTXSID601140077HMS1663A16AKOS000671823N-(1,3-Benzodioxol-5-ylmethyl)-2-[(1,3-benzodioxol-5-ylmethyl)amino]acetamide685115-78-0ST50576543N,N~2~-Bis[(2H-1,3-benzodioxol-5-yl)methyl]glycinamideN-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-2-[(2H-benzo[3,4-d]1,3-dioxolan-5-y lmethyl)amino]acetamide
Database identifiers
- CAS
685115-78-0- PubChem CID
- 2811677
- DTXSID
DTXSID601140077- ChEMBL
CHEMBL5484374
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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