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Basic information
- Standard SMILES
C=CC[C@H](NC(=O)OC(C)(C)C)c1cc(-c2ccccc2N)ccn1- InChIKey
WHTJYQJYZDHCBS-KRWDZBQOSA-N- Molecular formula
- C20H25N3O2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.19467705
Names & identifiers
- Preferred name
- tert-Butyl N-[(1S)-1-[4-(2-aminophenyl)pyridin-2-yl]but-3-en-1-yl]carbamate
- IUPAC
- tert-butyl N-[(1S)-1-[4-(2-aminophenyl)-2-pyridinyl]but-3-enyl]carbamate
Names & synonyms
SCHEMBL10257068WHTJYQJYZDHCBS-KRWDZBQOSA-Ntert-Butyl N-[(1S)-1-[4-(2-aminophenyl)pyridin-2-yl]but-3-en-1-yl]carbamate
Database identifiers
- PubChem CID
- 68079321
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
2 records
Compound notes
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