Basic information
- Standard SMILES
CC(C)=CCCC(C)CCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
CKGWUXLDAKJOPO-UHFFFAOYSA-N- Molecular formula
- C25H42N2O3
- Average molar mass
- 418.6 g/mol
Names & identifiers
- Preferred name
- 4-(3-Adamantan-1-yl-ureido)butyric Acid 3,7-Dimethyl-oct-6-enyl Ester
- IUPAC
- 3,7-dimethyloct-6-enyl 4-(1-adamantylcarbamoylamino)butanoate
Names & synonyms
CHEMBL305446SCHEMBL1064466CKGWUXLDAKJOPO-UHFFFAOYSA-NBDBM501439224-(3-Adamantan-1-yl-ureido) butyric Acid 3,7-Dimethyl-oct-6-enyl Ester4-(3-Adamantan-1-yl-ureido)-butyric acid 3,7-dimethyl-oct-6-enyl ester4-(3-Adamantan-1-yl-ureido)butyric Acid 3,7-Dimethyl-oct-6-enyl Ester
Database identifiers
- PubChem CID
- 11200931
- ChEMBL
CHEMBL305446
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Compound notes
Loading…