Basic information
- Standard SMILES
CCOC(=O)c1cc(CC)cnc1CNC(C)(C(N)=O)C(C)C- InChIKey
XBMKYXSDMNCNOA-UHFFFAOYSA-N- Molecular formula
- C17H27N3O3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.20524173
Names & identifiers
- Preferred name
- Ethyl 2-{[(1-carbamoyl-1,2-dimethylpropyl)amino]methyl}-5-ethylnicotinate
- IUPAC
- ethyl 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]methyl]-5-ethylpyridine-3-carboxylate
Names & synonyms
SCHEMBL9369757XBMKYXSDMNCNOA-UHFFFAOYSA-Nethyl 2-{[(1-carbamoyl-1,2-dimethylpropyl)amino]methyl}-5-ethylnicotinate
Database identifiers
- PubChem CID
- 14600682
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Related reactions
8 records
Compound notes
Loading…