Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
benzyl N-[3-hydroxy-4-[(6-methoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate
HCID
178458690
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
C=CCOC1CC(NCC(O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)c2cc(OC)ccc21
InChIKey
LEGRFTFROGWZIK-UHFFFAOYSA-N
Molecular formula
C31H36N2O5
Average molar mass
516.6 g/mol
Monoisotopic mass
516.26242225
Names & identifiers
IUPAC
benzyl N-[3-hydroxy-4-[(6-methoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate
Database identifiers
PubChem CID
72432635
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
89.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
14
Heavy atoms
38
Formal charge
0
Complexity
708
Show all 8
Show all 8 / 8
Related reactions
2 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
147157
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
1217530
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
Loading…
benzyl N-[3-hydroxy-4-[(6-methoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate (HCID 178458690)|Huagongshe