Basic information
- CAS
66148-57-0- Standard SMILES
NC(=O)c1[nH]cnc1OC(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
HKEMXZXNABJZPE-UHFFFAOYSA-N- Molecular formula
- C15H19N3O3
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.14264148
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-carbamoyl-1H-imidazol-4-yl-1-adamantanecarboxylate
- IUPAC
- (5-carbamoyl-1H-imidazol-4-yl) adamantane-1-carboxylate
- English name
- 5-carbamoyl-1H-imidazol-4-yl-1-adamantanecarboxylate
- Molecular formula
- C15H19N3O3
- Molecular weight
- 289.33
Names & synonyms
66148-57-05-carbamoyl-1H-imidazol-4-yl-1-adamantanecarboxylateDTXSID20216348SL 1233Tricyclo(3.3.1.1(3,7))decane-1-carboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl esterRefChem:102238DTXCID201388395-Carbamoyl-1H-imidazole-4-yl adamantane-1'-carboxylateSL-12335-(Aminocarbonyl)-1H-imidazol-4-yl tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylateTricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl esterSCHEMBL11395198
Show more names
1-Adamantanecarboxylic acid 5-carbamoyl-1H-imidazol-4-yl esterTricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-(aminocarbonyl)-1H-imidazol-5-yl ester
HKEMXZXNABJZPE-UHFFFAOYSA-N5-carbamoyl-1h-imidazol-4-yl 1-adamantane-carboxylate5-carbamoyl-1H-imidazol-4-yl 1-adamantanecarboxylate5-CARBAMOYL-1H-IMIDAZOL-4-YL ADAMANTANE-1-CARBOXYLATE
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
4 records
Compound notes
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