Basic information
- Standard SMILES
CC(C)C(=O)NC1CCC(Oc2cccc(N)c2C#N)CC1- InChIKey
AAMARXPJPRUZNK-UHFFFAOYSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- N-(4-(3-amino-2-cyanophenoxy)cyclohexyl)isobutyramide
- IUPAC
- N-[4-(3-amino-2-cyanophenoxy)cyclohexyl]-2-methylpropanamide
Names & synonyms
SCHEMBL618194AAMARXPJPRUZNK-UHFFFAOYSA-NN-(4-(3-amino-2-cyanophenoxy)cyclohexyl)isobutyramideN-(4-(3-amino-2-cyanophenoxy)cyclohexyl)isobutyr-amide
Database identifiers
- PubChem CID
- 66745656
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
7 records
Compound notes
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