5-[(N-Methyl-N-butylamino)carbonyl]-2,4-bisbenzyloxybenzoic acid
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Basic information
- Standard SMILES
CCCCN(C)C(=O)c1cc(C(=O)O)c(OCc2ccccc2)cc1OCc1ccccc1- InChIKey
ACXSSIKYYVWDIP-UHFFFAOYSA-N- Molecular formula
- C27H29NO5
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- 5-[(N-Methyl-N-butylamino)carbonyl]-2,4-bisbenzyloxybenzoic acid
- IUPAC
- 5-[butyl(methyl)carbamoyl]-2,4-bis(phenylmethoxy)benzoic acid
Names & synonyms
SCHEMBL3239000ACXSSIKYYVWDIP-UHFFFAOYSA-N5-[(N-Methyl-N-butylamino)carbonyl]-2,4-bisbenzyloxybenzoic acid
Database identifiers
- PubChem CID
- 59614060
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 599
Related reactions
4 records
Compound notes
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