Basic information
- CAS
68835-57-4- Standard SMILES
Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1- InChIKey
GMLISZLBSUORER-UHFFFAOYSA-N- Molecular formula
- C17H22N2O
- Average molar mass
- 270.37 g/mol
- Monoisotopic mass
- 270.17321333
Names & identifiers
- Preferred name
- N-(Adamantan-1-yl)-4-aminobenzamide
- IUPAC
- N-(1-adamantyl)-4-aminobenzamide
- English name
- N-ADAMANTAN-1-YL-4-AMINO-BENZAMIDE
- Molecular formula
- C17H22N2O
- Molecular weight
- 270.37
Names & synonyms
N-(Adamantan-1-yl)-4-aminobenzamide68835-57-4DTXSID30218939RefChem:362538DTXCID30141430N-1-adamantyl-4-aminobenzamideN-(1-adamantyl)-4-aminobenzamideN-Adamantan-1-yl-4-amino-benzamideN-(1-adamantyl)-4-amino-benzamideMFCD01995233benzamide, 4-amino-N-tricyclo[3.3.1.1~3,7~]dec-1-yl-N-adamantanyl(4-aminophenyl)carboxamide
Show more names
Benzamide, 4-amino-N-tricyclo[3.3.1.13,7]dec-1-yl-
4-amino-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamideOprea1_563326Oprea1_702315MLS001204808SCHEMBL7122051CHEMBL1508860HMS2849L24N-Adamantan-1-yl-4-aminobenzamide
Database identifiers
- CAS
68835-57-4- PubChem CID
- 477705
- DTXSID
DTXSID30218939- ChEMBL
CHEMBL1508860- Nikkaji
- J1.008.602G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility37.3 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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