AHR-5645B free base
Basic information
- CAS
50733-99-8- Standard SMILES
CN(C(=O)c1ccc(N)cc1)C1CCN(C2CCCCC2)C1- InChIKey
BCZLLYRBOISBCG-UHFFFAOYSA-N- Molecular formula
- C18H27N3O
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.21541249
Names & identifiers
- Preferred name
- AHR-5645B free base
- IUPAC
- 4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzamide
Names & synonyms
AHR-5645B free base50733-99-8HMQ7456P04Benzamide, 4-amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methyl-UNII-HMQ7456P044-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzamide4-amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methylbenzamideorb1740306SCHEMBL11258720BCZLLYRBOISBCG-UHFFFAOYSA-NDTXSID101352358T69174
Database identifiers
- CAS
50733-99-8- PubChem CID
- 59670
- DTXSID
DTXSID101352358- UNII
- HMQ7456P04
- Nikkaji
- J326.190E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
3 records
Compound notes
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