methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate
Basic information
- CAS
30117-17-0- Standard SMILES
CCN(Cc1ccc(C(=O)OC)cc1)c1cccc(NC(C)=O)c1- InChIKey
IQLJPOUMHFHAMU-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.16304257
Names & identifiers
- Preferred name
- methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate
- IUPAC
- methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate
Names & synonyms
NSC31026930117-17-0DTXSID50317054NSC-310269DS-011447methyl 4-[[(3-acetamidophenyl)-ethyl-amino]methyl]benzoateMethyl 4-{[(3-acetamidophenyl)(ethyl)amino]methyl}benzoate
Database identifiers
- CAS
30117-17-0- PubChem CID
- 329141
- DTXSID
DTXSID50317054
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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