TL;DR: 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide (CAS 15846-26-1) is a chemical compound with molecular formula C8H14N2O2 and molecular weight 170.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpropanoylamino)but-2-enamide
Also Known As: 3-(2-methylpropanoylamino)but-2-enamide, 3-((2-Methyl-1-oxopropyl)amino)-2-butenamide, 3-[(2-METHYL-1-OXOPROPYL)AMINO]-2-BUTENAMIDE, 2-Butenamide,3-[(2-methyl-1-oxopropyl)amino]-, 2-Butenamide, 3-((2-methyl-1-oxopropyl)amino)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H14N2O2 |
| Molecular Weight | 170.10553 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.10553 Da |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
| SMILES | CC(C)C(=O)NC(=CC(=O)N)C |
| InChIKey | JBKZUDJFOSCJDL-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide. Following Lipinski's Rule of Five, 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide is 15846-26-1.
The molecular formula of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide is C8H14N2O2.
The molecular weight of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide is 170.10553 g/mol.
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