2-methyl-N-(2-phenylpropyl)prop-2-enamide;2-methylprop-2-enoic acid
Basic information
- CAS
37129-92-3- Standard SMILES
C=C(C)C(=O)NCC(C)c1ccccc1.C=C(C)C(=O)O- InChIKey
XUJCNILWMYGWNI-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Names & identifiers
- Preferred name
- 2-methyl-N-(2-phenylpropyl)prop-2-enamide;2-methylprop-2-enoic acid
- IUPAC
- 2-methyl-N-(2-phenylpropyl)prop-2-enamide;2-methylprop-2-enoic acid
Names & synonyms
37129-92-3DTXSID009583352-Methylprop-2-enoic acid--2-methyl-N-(2-phenylpropyl)prop-2-enimidic acid (1/1)
Database identifiers
- CAS
37129-92-3- PubChem CID
- 216148
- DTXSID
DTXSID00958335
Properties
Computed structural properties
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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