{2-Benzyloxy-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl}-carbamic acid tert-butyl ester
Basic information
- CAS
1008211-87-7- Standard SMILES
CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)NCC1CCCO1- InChIKey
ANBKWOVLQRFZTG-UHFFFAOYSA-N- Molecular formula
- C21H32N2O5
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.23112213
Names & identifiers
- Preferred name
- {2-Benzyloxy-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylmethoxybutan-2-yl]carbamate
Names & synonyms
1008211-87-71,1-Dimethylethyl N-[2-(phenylmethoxy)-1-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]propyl]carbamateCBMicro_021181MLS000071719CHEMBL1609274DTXSID301111378HMS2403A22CCG-13331AKOS000611601AKOS024279368{2-Benzyloxy-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl}-carbamic acid tert-butyl esterSMR000010966
Show more names
ST026625BIM-0021332.P001SR-01000360383SR-01000360383-12-[(tert-butoxy)carbonylamino]-N-(oxolan-2-ylmethyl)-3-(phenylmethoxy)butanami de
Database identifiers
- CAS
1008211-87-7- PubChem CID
- 648722
- DTXSID
DTXSID301111378- ChEMBL
CHEMBL1609274
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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