4-(2-{Acetyl[3-(acetyloxy)benzyl]amino}ethyl)phenyl acetate
Basic information
- CAS
63144-70-7- Standard SMILES
CC(=O)Oc1ccc(CCN(Cc2cccc(OC(C)=O)c2)C(C)=O)cc1- InChIKey
ZEFNUQYBXKFPIK-UHFFFAOYSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15762283
Names & identifiers
- Preferred name
- 4-(2-{Acetyl[3-(acetyloxy)benzyl]amino}ethyl)phenyl acetate
- IUPAC
- [4-[2-[acetyl-[(3-acetyloxyphenyl)methyl]amino]ethyl]phenyl] acetate
Names & synonyms
63144-70-74-(2-{acetyl[3-(acetyloxy)benzyl]amino}ethyl)phenyl acetateNSC159942DTXSID20303681NSC-1599423-[(N-{2-[4-(Acetyloxy)phenyl]ethyl}acetamido)methyl]phenyl acetate
Database identifiers
- CAS
63144-70-7- PubChem CID
- 293385
- DTXSID
DTXSID20303681
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
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Compound notes
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