Basic information
- Standard SMILES
CC(C)NCCNCc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1- InChIKey
JHMXZGBCKYDKMU-UHFFFAOYSA-N- Molecular formula
- C24H36ClN3O
- Average molar mass
- 418 g/mol
- Monoisotopic mass
- 417.2546905
Names & identifiers
- Preferred name
- 2-Chloro-5-[[[2-[(1-methylethyl)amino]ethyl]amino]methyl]-N-(tricycio[3.3.1.13,7]dec-1-ylmethyl)-benzamide
- IUPAC
- N-(1-adamantylmethyl)-2-chloro-5-[[2-(propan-2-ylamino)ethylamino]methyl]benzamide
Names & synonyms
SCHEMBL4122197JHMXZGBCKYDKMU-UHFFFAOYSA-N2-Chloro-5-[[[2-[(1-methylethyl)amino]ethyl]amino]methyl]-N-(tricycio[3.3.1.13,7]dec-1-ylmethyl)-benzamide2-Chloro-5-[[[2-[(1-methylethyl)amino]ethyl]amino]methyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide2-Chloro-5-[[[2-[(1-methylethyl)amino]ethyl]amino]methyl]-N-(tricylo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
Database identifiers
- PubChem CID
- 10136764
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
4 records
Compound notes
Loading…