| CAS Number | 76093-72-6 |
| Catalog Number | AG008ON1(AGN-PC-0NJTTA) |
| Chemical Name | N-(2-(2-hydroxyethyl)-3-methoxyphenyl)pivalamide |
| IUPAC Name | N-[2-(2-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide |
| InChI | InChI=1S/C14H21NO3/c1-14(2,3)13(17)15-11-6-5-7-12(18-4)10(11)8-9-16/h5-7,16H,8-9H2,1-4H3,(H,15,17) |
| InChI Key | VLQCFCOZILVCKP-UHFFFAOYSA-N |
| MDL Number | MFCD21090869 |
| Molecular Formula | C14H21NO3 |
| Molecular Weight | 251.3214 |
| SMILES | COc1cccc(NC(=O)C(C)(C)C)c1CCO |
| Synonyms | N-(2-(2-hydroxyethyl)-3-methoxyphenyl)pivalamide,
76093-72-6,
N-[2-(2-Hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide,
Propanamide, N-[2-(2-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethyl-,
SCHEMBL3128204,
CTK2G0785,
KS-00001BEY,
DTXSID40506314,
VLQCFCOZILVCKP-UHFFFAOYSA-N,
MFCD21090869,
ZINC39262300,
AKOS005263931,
2-(2-hydroxyethyl)-3-pivalamidoanisole,
CS-0038512,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.326g/mol |
| Monoisotopic Mass | 251.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number