Basic information
- CAS
129042-82-6- Standard SMILES
CCCCCCC(CC(=O)O)NC(=O)Nc1ccc(C#N)cc1- InChIKey
VBAIQCXZQREQBA-UHFFFAOYSA-N- Molecular formula
- C17H23N3O3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.1739416
Names & identifiers
- Preferred name
- 3-{[(4-Cyanophenyl)carbamoyl]amino}nonanoic acid
- IUPAC
- 3-[(4-cyanophenyl)carbamoylamino]nonanoic acid
Names & synonyms
DTXSID9012117943-{[(4-Cyanophenyl)carbamoyl]amino}nonanoic acid3-[[[(4-Cyanophenyl)amino]carbonyl]amino]nonanoic acid129042-82-6
Database identifiers
- CAS
129042-82-6- PubChem CID
- 85608564
- DTXSID
DTXSID901211794
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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