3-(1,3-Benzodioxol-5-yl)-N-cyclohexyl-N-(2-pyridinyl)-2-propenamide
Basic information
- CAS
748783-13-3- Standard SMILES
O=C(C=Cc1ccc2c(c1)OCO2)N(c1ccccn1)C1CCCCC1- InChIKey
YZZYQHPDSKJBRO-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.16304257
Names & identifiers
- Preferred name
- 3-(1,3-Benzodioxol-5-yl)-N-cyclohexyl-N-(2-pyridinyl)-2-propenamide
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide
Names & synonyms
SCHEMBL1699243SCHEMBL30416175DTXSID601357434AKOS0344612573-(1,3-Benzodioxol-5-yl)-N-cyclohexyl-N-(2-pyridinyl)-2-propenamide748783-13-3
Database identifiers
- CAS
748783-13-3- PubChem CID
- 3677025
- DTXSID
DTXSID601357434
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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