Basic information
- Standard SMILES
CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)O)c1- InChIKey
GYANEPGJWZUALE-UHFFFAOYSA-N- Molecular formula
- C23H29NO4
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 3-{[[4-(Benzyloxy)butyl](propyl)amino]carbonyl)-5-methylbenzoic acid
- IUPAC
- 3-methyl-5-[4-phenylmethoxybutyl(propyl)carbamoyl]benzoic acid
Names & synonyms
3-{[[4-(benzyloxy)butyl](propyl)-amino]carbonyl)-5-methylbenzoic acid3-{[[4-(benzyloxy)butyl](propyl)-amino]carbonyl}-5-methylbenzoic acid3-{[[4-(benzyloxy)butyl](propyl)amino]carbonyl)-5-methylbenzoic acid3-{[[4-(benzyloxy)butyl](propyl)amino]carbonyl}-5-methylbenzoic acidGYANEPGJWZUALE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21085686
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 475
Related reactions
11 records
Compound notes
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