Basic information
- Standard SMILES
COC(=O)CCN(C(=O)c1cc(C)cc(OCCNc2ccncc2)c1)C(C)C- InChIKey
ONTRBJAVLVGSGB-UHFFFAOYSA-N- Molecular formula
- C22H29N3O4
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.21580641
Names & identifiers
- Preferred name
- Methyl 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoate
- IUPAC
- methyl 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoate
Names & synonyms
SCHEMBL6973391
Database identifiers
- PubChem CID
- 17899570
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
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