| CAS Number | 1459264-33-5 |
| Catalog Number | AG00HXGV |
| Chemical Name | N-Isopropyl-2-(3-methoxyphenyl)acetamide |
| IUPAC Name | 2-(3-methoxyphenyl)-N-propan-2-ylacetamide |
| InChI | InChI=1S/C12H17NO2/c1-9(2)13-12(14)8-10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14) |
| InChI Key | BBVVLFKFFDXNDT-UHFFFAOYSA-N |
| MDL Number | MFCD20042733 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | COc1cccc(c1)CC(=O)NC(C)C |
| Synonyms | N-Isopropyl-2-(3-methoxyphenyl)acetamide,
1459264-33-5,
2-(3-methoxyphenyl)-N-(propan-2-yl)acetamide,
SCHEMBL15831226,
ZINC46346384,
AKOS008927268,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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