Basic information
- Standard SMILES
CCOc1cccc([C@@H](C)NC2CC[C@H](c3ccc(C(=O)NCCC(N)=O)cc3)C2)c1- InChIKey
QBPSIGRPXRLGHK-HWWMDGIVSA-N- Molecular formula
- C25H33N3O3
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- N-(3-amino-3-oxo-propyl)-4-[(1S,3R/S)-3-[[(1R)-1-(3-ethoxyphenyl)ethyl]-amino]cyclopentyl]benzamide
- IUPAC
- N-(3-amino-3-oxopropyl)-4-[(1S)-3-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]cyclopentyl]benzamide
Names & synonyms
SCHEMBL3698575QBPSIGRPXRLGHK-HWWMDGIVSA-NN-(3-amino-3-oxo-propyl)-4-[(1S,3R/S)-3-[[(1R)-1-(3-ethoxyphenyl)ethyl]-amino]cyclopentyl]benzamide
Database identifiers
- PubChem CID
- 68748904
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
1 records
Compound notes
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