5-(Benzoyl-methyl-amino)-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CN(C(=O)c1ccccc1)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C- InChIKey
JKMXUCFFFPZAFR-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- 5-(Benzoyl-methyl-amino)-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-[benzoyl(methyl)amino]-2,3-dihydroindole-1-carboxylate
Names & synonyms
SCHEMBL1058731JKMXUCFFFPZAFR-UHFFFAOYSA-N5-(benzoyl-methyl-amino)-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66891736
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Related reactions
6 records
Compound notes
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