Basic information
- CAS
1181533-99-2- Standard SMILES
Cn1nnnc1-c1cccc(NC(=O)CCCNC(=O)C(C)(C)C)c1- InChIKey
KVBHEHANTQQTRQ-UHFFFAOYSA-N- Molecular formula
- C17H24N6O2
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.19607403
Names & identifiers
- Preferred name
- 4-(2,2-Dimethylpropanamido)-N-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]butanamide
- IUPAC
- 2,2-dimethyl-N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]propanamide
Names & synonyms
DTXSID501128026AKOS0339022181181533-99-2Z2413568804-(2,2-Dimethylpropanamido)-N-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]butanamide4-[(2,2-Dimethyl-1-oxopropyl)amino]-N-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]butanamide
Database identifiers
- CAS
1181533-99-2- PubChem CID
- 32769751
- DTXSID
DTXSID501128026
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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