Methyl 5-[(N-methyl-N-butylamino)carbonyl]-2,4-bisbenzyloxybenzoate
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Basic information
- Standard SMILES
CCCCN(C)C(=O)c1cc(C(=O)OC)c(OCc2ccccc2)cc1OCc1ccccc1- InChIKey
AFCJQBJGBPYCQO-UHFFFAOYSA-N- Molecular formula
- C28H31NO5
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.22022309
Names & identifiers
- Preferred name
- Methyl 5-[(N-methyl-N-butylamino)carbonyl]-2,4-bisbenzyloxybenzoate
- IUPAC
- methyl 5-[butyl(methyl)carbamoyl]-2,4-bis(phenylmethoxy)benzoate
Names & synonyms
SCHEMBL3766462AFCJQBJGBPYCQO-UHFFFAOYSA-NMethyl 5-[(N-methyl-N-butylamino)carbonyl]-2,4-bisbenzyloxybenzoate
Database identifiers
- PubChem CID
- 59614016
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Compound notes
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