3,4-dimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
Basic information
- CAS
369402-65-3- Standard SMILES
COc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1OC- InChIKey
NQKOETSVQMXDJY-UHFFFAOYSA-N- Molecular formula
- C21H24N2O5
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- 3,4-dimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
- IUPAC
- 3,4-dimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
- English name
- 3,4-dimethoxy-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
- Molecular formula
- C21H24N2O5
- Molecular weight
- 384.43
Names & synonyms
369402-65-33,4-dimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide3,4-dimethoxy-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide3,4-dimethoxy-N-{4-[(tetrahydrofuran-2-ylmethyl)carbamoyl]phenyl}benzamideSTK252989AKOS003267111AKOS022068914AK-918/131611213,4-dimethoxy-N-(4-(((tetrahydrofuran-2-yl)methyl)carbamoyl)phenyl)benzamideBenzamide, 3,4-dimethoxy-N-[4-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]phenyl]-
Database identifiers
- CAS
369402-65-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 540.3 · 540.3±50.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 12.69 · 12.69±0.70(Predicted)
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Compound notes
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