| CAS Number | 330202-17-0 |
| Catalog Number | AG01APIQ(AGN-PC-0WCN6G) |
| Chemical Name | 1-(adamantan-1-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea |
| IUPAC Name | 1-(1-adamantyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea |
| InChI | InChI=1S/C15H26N2O2/c1-14(2,9-18)16-13(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12,18H,3-9H2,1-2H3,(H2,16,17,19) |
| InChI Key | SVTLAJOQBVRPIM-UHFFFAOYSA-N |
| MDL Number | MFCD01932301 |
| Molecular Formula | C15H26N2O2 |
| Molecular Weight | 266.3791 |
| SMILES | CC(NC(NC12CC3CC(C1)CC(C3)C2)=O)(CO)C |
| Synonyms | N-1-Adamantyl-N'-(2-hydroxy-1,1-dimethylethyl)urea,
330202-17-0,
AC1MCHT0,
CBMicro_041967,
Cambridge id 6044536,
Oprea1_628712,
ZINC3864759,
AKOS001051928,
AKOS023552826,
BIM-0041937.P001,
ST50756751,
N-adamantanyl[(2-hydroxy-tert-butyl)amino]carboxamide,
1-(1-adamantyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea,
F0339-0034,
ZINC03864759,
CID2769975,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.385g/mol |
| Monoisotopic Mass | 266.199g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number