BRN 2897090
2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoic acid
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.4 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 66.4 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 50741-82-7 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=CC=CC=C4C(=O)O)C)C |
| InChIKey | JDMHWDBJQCVYOI-UHFFFAOYSA-N |
📖 Product Overview
BRN 2897090 (CAS: 50741-82-7) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.4 g/mol. Its IUPAC systematic name is 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoic acid.
JDMHWDBJQCVYOI-UHFFFAOYSA-N.
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=CC=CC=C4C(=O)O)C)C.
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