Basic information
- CAS
850018-78-9- Standard SMILES
CC1CC1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
WDWDJKCPLGLIOC-UHFFFAOYSA-N- Molecular formula
- C18H26N2O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.18925731
Names & identifiers
- Preferred name
- [2-(1-Adamantylcarbamoylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
- IUPAC
- [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
Names & synonyms
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylateMLS000772656CHEMBL1600446DTXSID501322052HMS2713H16AKOS033627048850018-78-9SMR000344665Z185080202-{[(adamantan-1-yl)carbamoyl]amino}-2-oxoethyl 2-methylcyclopropane-1-carboxylate
Database identifiers
- CAS
850018-78-9- PubChem CID
- 4883585
- DTXSID
DTXSID501322052- ChEMBL
CHEMBL1600446
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 532
Experimental & physicochemical properties
Solubility22.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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