PO 2 (enzyme inhibitor)
2-hydroxy-4,4-dimethyl-1-[methyl(prop-2-ynyl)amino]-1-phenylpentan-3-one;oxalic acid
Also Known As: PO 2 (enzyme inhibitor)|2-hydroxy-4,4-dimethyl-1-[methyl(prop-2-yn-1-yl)amino]-1-phenylpentan-3-one ethanedioate(1:1)|2-hydroxy-4,4-dimethyl-1-[methyl(prop-2-ynyl)amino]-1-phenylpentan-3-one,oxalic acid|2-hydroxy-4,4-dimethyl-1-[methyl(prop-2-ynyl)amino]-1-phenylpentan-3-one; oxalic acid|3-Pentanone, 2-hydroxy-4,4-dimethyl-1-(methyl-2-propynylamino)-1-phenyl-, ethanedioate (1:1)(salt)|3-Pentanone,2-hydroxy-4,4-dimethyl-1- (methyl-2-propynylamino)-1-phenyl-,ethanedioate (1:1) (salt)|3-Pentanone,2-hydroxy-4,4-dimethyl-1-(methyl-2-propynylamino)-1-phenyl-,ethanedioate (1:1) (salt)|IUPAC: 2-hydroxy-4,4-dimethyl-1-(methyl-prop-2-ynyl-amino)-1-phenyl-pentan-3-one; Oxalic Acid|Oxalic acid--2-hydroxy-4,4-dimethyl-1-[methyl(prop-2-yn-1-yl)amino]-1-phenylpentan-3-one (1/1)
| Molecular Formula | C19H25NO6 |
|---|---|
| Molecular Weight | 363.16818 g/mol |
| LogP | 1.4244 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.16818 |
| Monoisotopic Mass | 363.16818 |
| Heavy Atoms | 26 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 6641-45-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(C(C1=CC=CC=C1)N(C)CC#C)O.C(=O)(C(=O)O)O |
| InChIKey | VOAIBNZLEDIHFJ-UHFFFAOYSA-N |
Product Overview
PO 2 (enzyme inhibitor) (CAS 6641-45-8), with molecular formula C19H25NO6 and molecular weight 363.16818 g/mol. IUPAC: 2-hydroxy-4,4-dimethyl-1-[methyl(prop-2-ynyl)amino]-1-phenylpentan-3-one;oxalic acid.