Hippuric acid, 4-(allyloxy)-3,5-dipropyl-
Basic information
- CAS
101564-63-0- Standard SMILES
C=CCOc1c(CCC)cc(C(=O)NCC(=O)O)cc1CCC- InChIKey
BOKHEPFBRABENZ-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- Hippuric acid, 4-(allyloxy)-3,5-dipropyl-
- IUPAC
- 2-[(4-prop-2-enoxy-3,5-dipropylbenzoyl)amino]acetic acid
- English name
- 4-Allyoxy-3,5-dipropylhippuric acid
- Molecular weight
- 0
Names & synonyms
HIPPURIC ACID, 4-(ALLYLOXY)-3,5-DIPROPYL-101564-63-0N-(4-Allyloxy-3,5-dipropylbenzoyl)glycine4-Allyoxy-3,5-dipropylhippuric acidDTXSID80144012RefChem:347818DTXCID80665032-[(4-prop-2-enoxy-3,5-dipropylbenzoyl)amino]acetic acidN-{4-[(Prop-2-en-1-yl)oxy]-3,5-dipropylbenzoyl}glycine
Database identifiers
- CAS
101564-63-0- PubChem CID
- 58519
- DTXSID
DTXSID80144012- Nikkaji
- J77.692K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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