[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
Basic information
- CAS
852545-07-4- Standard SMILES
Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NC2CCCc3ccccc32)c1- InChIKey
ZMKZHLLFSAWMQY-UHFFFAOYSA-N- Molecular formula
- C23H26N2O4
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.18925731
Names & identifiers
- Preferred name
- [2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
- IUPAC
- [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
Names & synonyms
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetateMLS002165865CHEMBL1966605DTXSID201321736HMS3084F04AKOS033633109852545-07-4SMR001248224Z186055772-Oxo-2-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl N-(3,5-dimethylbenzoyl)glycinate
Database identifiers
- CAS
852545-07-4- PubChem CID
- 4783370
- DTXSID
DTXSID201321736- ChEMBL
CHEMBL1966605
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Experimental & physicochemical properties
Solubility8.4 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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