| CAS Number | 1803594-77-5 |
| Catalog Number | AG01BB0Y |
| Chemical Name | tert-butyl 8-benzyl-7-oxo-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate |
| IUPAC Name | tert-butyl 8-benzyl-7-oxo-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate |
| InChI | InChI=1S/C18H24N2O4/c1-17(2,3)24-16(22)20-12-18(13-20)11-19(15(21)10-23-18)9-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3 |
| InChI Key | UDJORTGFWBFKJO-UHFFFAOYSA-N |
| MDL Number | MFCD28505841 |
| Molecular Formula | C18H24N2O4 |
| Molecular Weight | 332.3942 |
| SMILES | O=C(N1CC2(C1)OCC(N(C2)CC3=CC=CC=C3)=O)OC(C)(C)C |
| Synonyms | tert-butyl 8-benzyl-7-oxo-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate,
1803594-77-5,
ZINC238855926,
|
| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.4g/mol |
| Monoisotopic Mass | 332.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number