Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(OC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1- InChIKey
UWAQYVMBBMJVFB-UHFFFAOYSA-N- Molecular formula
- C25H34N2O5
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- 4-(3-Adamantan-1-yl-ureido)butyric Acid 4-Ethoxycarbonylmethylphenyl Ester
- IUPAC
- [4-(2-ethoxy-2-oxoethyl)phenyl] 4-(1-adamantylcarbamoylamino)butanoate
Names & synonyms
CHEMBL67521SCHEMBL1064851UWAQYVMBBMJVFB-UHFFFAOYSA-NBDBM501439354-(3-Adamantan-1-yl-ureido)butyric Acid 4-Ethoxycarbonylmethylphenyl Ester4-(3-Adamantan-1-yl-ureido)-butyric acid 4-ethoxycarbonylmethyl-phenyl ester
Database identifiers
- PubChem CID
- 11212905
- ChEMBL
CHEMBL67521
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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