Basic information
- Standard SMILES
CC(C)CC(NCC(=O)N1CCCC1C#N)C(=O)N1CCCC1C(N)=O- InChIKey
BICOFUMRNVDQGN-UHFFFAOYSA-N- Molecular formula
- C18H29N5O3
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.2270398
Names & identifiers
- Preferred name
- 1-[2-[[2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide
- IUPAC
- 1-[2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL4420119
Database identifiers
- PubChem CID
- 69036736
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 597
Related reactions
1 records
Compound notes
Loading…