Basic information
- Standard SMILES
CCCCCCN(Cc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2C(=O)O)c(OC)c1- InChIKey
AFXOBJFDFIJSEI-UHFFFAOYSA-N- Molecular formula
- C30H35NO5
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.25152322
Names & identifiers
- Preferred name
- 2-[(4-{2-[Benzyl(hexyl)amino]-2-oxoethyl}-2-methoxyphenoxy)methyl]benzoic acid
- IUPAC
- 2-[[4-[2-[benzyl(hexyl)amino]-2-oxoethyl]-2-methoxyphenoxy]methyl]benzoic acid
Names & synonyms
SCHEMBL4001309AFXOBJFDFIJSEI-UHFFFAOYSA-N2-[(4-{2-[Benzyl(hexyl)amino]-2-oxoethyl}-2-methoxyphenoxy)methyl]benzoic acid
Database identifiers
- PubChem CID
- 10480692
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 649
Related reactions
2 records
Compound notes
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