tert-Butyl [(2S)-1-(4-iodoanilino)-1-oxopropan-2-yl]carbamate
Basic information
- CAS
197379-83-2- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(I)cc1- InChIKey
RKHOCUHVIJBVLZ-VIFPVBQESA-N- Molecular formula
- C14H19IN2O3
- Average molar mass
- 390.22 g/mol
- Monoisotopic mass
- 390.04404
Names & identifiers
- Preferred name
- tert-Butyl [(2S)-1-(4-iodoanilino)-1-oxopropan-2-yl]carbamate
- IUPAC
- tert-butyl N-[(2S)-1-(4-iodoanilino)-1-oxopropan-2-yl]carbamate
Names & synonyms
DTXSID001135478tert-Butyl [(2S)-1-(4-iodoanilino)-1-oxopropan-2-yl]carbamate1,1-Dimethylethyl N-[(1S)-2-[(4-iodophenyl)amino]-1-methyl-2-oxoethyl]carbamate197379-83-2
Database identifiers
- CAS
197379-83-2- PubChem CID
- 7046166
- DTXSID
DTXSID001135478- Nikkaji
- J2.624.452H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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