N-phenyl-3-propoxybenzamide
Basic information
- CAS
625412-10-4- Standard SMILES
CCCOc1cccc(C(=O)Nc2ccccc2)c1- InChIKey
PPDHXMHYIISQMX-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- N-phenyl-3-propoxybenzamide
- IUPAC
- N-phenyl-3-propoxybenzamide
- English name
- Benzamide, N-phenyl-3-propoxy- (9CI)
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
N-phenyl-3-propoxybenzamide625412-10-4BENZAMIDE, N-PHENYL-3-PROPOXY-Oprea1_787178DTXSID40406880AKOS003485306Benzamide, N-phenyl-3-propoxy- (9CI)
Database identifiers
- CAS
625412-10-4- PubChem CID
- 4960012
- DTXSID
DTXSID40406880
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 333.1 · 333.1±25.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 13.42 · 13.42±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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