Benzamide, 4-(allyloxy)-N,N-diisopropyl-3,5-dimethoxy-
Basic information
- CAS
155-59-9- Standard SMILES
C=CCOc1c(OC)cc(C(=O)N(C(C)C)C(C)C)cc1OC- InChIKey
XUNNBYRBYWXVFB-UHFFFAOYSA-N- Molecular formula
- C18H27NO4
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.19400834
Names & identifiers
- Preferred name
- Benzamide, 4-(allyloxy)-N,N-diisopropyl-3,5-dimethoxy-
- IUPAC
- 3,5-dimethoxy-N,N-di(propan-2-yl)-4-prop-2-enoxybenzamide
- English name
- 3,5-Dimethoxy-N,N-diisopropyl-4-(2-propenyloxy)benzamide
- Molecular formula
- C18H27NO4
- Molecular weight
- 321.41
Names & synonyms
155-59-94-(Allyloxy)-N,N-diisopropyl-3,5-dimethoxybenzamideBenzamide, 4-(allyloxy)-N,N-diisopropyl-3,5-dimethoxy-DTXSID40165783RefChem:321588DTXCID80882743,5-dimethoxy-N,N-di(propan-2-yl)-4-prop-2-enoxybenzamide3,5-Dimethoxy-N,N-diisopropyl-4-(2-propenyloxy)benzamideXUNNBYRBYWXVFB-UHFFFAOYSA-N3,5-Dimethoxy-N,N-di(propan-2-yl)-4-[(prop-2-en-1-yl)oxy]benzamideBenzamide, 3,5-dimethoxy-N,N-bis(1-methylethyl)-4-(2-propen-1-yloxy)-
Database identifiers
- CAS
155-59-9- PubChem CID
- 67426
- DTXSID
DTXSID40165783- Nikkaji
- J54.638K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 458.9 · 458.9±45.0 °C(Predicted)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- pka
- -1.43 · -1.43±0.70(Predicted)
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Compound notes
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