| CAS Number | 136329-30-1 |
| Catalog Number | AG00HUII(AGN-PC-0WG49M) |
| Chemical Name | tert-butyl N-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)carbamate |
| InChI | InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-14(13-9-5-4-6-10-13)15(20)19-11-7-8-12-19/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,18,21) |
| InChI Key | ZVYGJRFJPXLXEA-UHFFFAOYSA-N |
| MDL Number | MFCD24393226 |
| Molecular Formula | C17H24N2O3 |
| Molecular Weight | 304.3841 |
| SMILES | CC(C)(C)OC(=O)NC(C(=O)N1CCCC1)c1ccccc1 |
| Synonyms | 136329-30-1,
TERT-BUTYL N-[2-OXO-1-PHENYL-2-(PYRROLIDIN-1-YL)ETHYL]CARBAMATE,
tert-Butyl (2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl)carbamate,
SCHEMBL20434046,
MFCD24393226,
AKOS027256073,
TZ001090,
CS-0036994,
t-Butyl N-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate,
tert-Butyl N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)carbamate,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.39g/mol |
| Monoisotopic Mass | 304.179g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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