N-(1-Methyl-3-phenylpropyl)isovaleramide
Basic information
- CAS
143085-87-4- Standard SMILES
CC(C)CC(=O)NC(C)CCc1ccccc1- InChIKey
KIJQPTRIOXCOEG-UHFFFAOYSA-N- Molecular formula
- C15H23NO
- Average molar mass
- 233.35 g/mol
- Monoisotopic mass
- 233.17796436
Names & identifiers
- Preferred name
- N-(1-Methyl-3-phenylpropyl)isovaleramide
- IUPAC
- 3-methyl-N-(4-phenylbutan-2-yl)butanamide
- English name
- N-(1-METHYL-3-PHENYLPROPYL)ISOVALERAMIDE
- Molecular formula
- C15H23NO
- Molecular weight
- 233.35
Names & synonyms
143085-87-43-methyl-N-(4-phenylbutan-2-yl)butanamideN-(1-Methyl-3-phenylpropyl)isovaleramideDTXSID80398997KIJQPTRIOXCOEG-UHFFFAOYSA-NAKOS003798227DB-0426613-ISOVALERAMIDO-1-PHENYLBUTANE1-PHENYL-3-ISOVALERAMIDOBUTANEButanamide, 3-methyl-N-(1-methyl-3-phenylpropyl)-
Database identifiers
- CAS
143085-87-4- PubChem CID
- 4070752
- DTXSID
DTXSID80398997- Nikkaji
- J256.595A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 392.7 · 392.7±21.0 °C(Predicted)
- Density
- 0.954 · 0.954±0.06 g/cm3(Predicted)
- pka
- 16.06 · 16.06±0.46(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…