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Basic information
- Standard SMILES
C=CCOc1ccc(C(=O)N(C(=O)[C@@H](N)[C@@H](C)CC)C(C)C)cc1- InChIKey
FDHAHHLCMIXXMR-YOEHRIQHSA-N- Molecular formula
- C19H28N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20999276
Names & identifiers
- Preferred name
- (S)-N-isoleucyl-4-allyloxybenzamide isopropyl ester
- IUPAC
- N-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-yl-4-prop-2-enoxybenzamide
Names & synonyms
SCHEMBL10426626FDHAHHLCMIXXMR-YOEHRIQHSA-N(S)-N-isoleucyl-4-allyloxybenzamide isopropyl ester
Database identifiers
- PubChem CID
- 18638024
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Related reactions
1 records
Compound notes
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