TL;DR: Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)- (CAS 121861-14-1) is a chemical compound with molecular formula C17H24N2O7 and molecular weight 368.15836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]butanamide
Also Known As: Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)-, N-{[(2S)-2-Phenylbutanoyl]carbamoyl}-beta-D-glucopyranosylamine, (2R)-2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]butanamide
| Molecular Formula | C17H24N2O7 |
| Molecular Weight | 368.15836 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.15836 Da |
| Heavy Atoms | 26 |
| Complexity | 484.0 |
| SMILES | CC[C@@H](C1=CC=CC=C1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | DKDUJROLALDQSP-RRGRKSGHSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)-. The TPSA of 148.0 Ų indicates high polarity, suggesting Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)- has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)- is 121861-14-1.
The molecular formula of Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)- is C17H24N2O7.
The molecular weight of Benzeneacetamide, alpha-ethyl-N-((beta-D-glucopyranosylamino)carbonyl)-, (S)- is 368.15836 g/mol.
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