| CAS Number | 1353878-11-1 |
| Catalog Number | AG00IX1V(AGN-PC-0WB0VK) |
| Chemical Name | 3-(3,4-Dimethoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
| IUPAC Name | 3-(3,4-dimethoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
| InChI | InChI=1S/C15H20N2O4/c1-19-12-4-3-11(9-13(12)20-2)17-10-15(21-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3 |
| InChI Key | IGUPZHNAAXMRJJ-UHFFFAOYSA-N |
| MDL Number | MFCD20921597 |
| Molecular Formula | C15H20N2O4 |
| Molecular Weight | 292.3303 |
| SMILES | O=C2(OC1(CCNCC1)(CN2C3(=CC(OC)=C(OC)C=C3))) |
| Synonyms | 3-(3,4-dimethoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one,
1353878-11-1,
dimethoxyphenyloxadiazaspirodecanone,
KS-000027QB,
ZX-RL003489,
MFCD20921597,
ZINC71789033,
AKOS015991570,
MF-0059,
RP15842,
OR310246,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.335g/mol |
| Monoisotopic Mass | 292.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number