(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide
C132H178F3N25O34 — CID 157078879
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide
SMILESCCC(C)c1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)NC)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(OCCCN(C)C)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C20H24N2O4.C19H23N5O4.C17H21F3N2O4.C16H24N4O4.C16H25N3O5.C15H23N3O5.C15H22N2O4.C14H16N4O4/c1-21-19(25)17(23)18(24)20(26)22-10-8-14(9-11-22)16-7-6-13-4-2-3-5-15(13)12-16;1-20-18(27)15(25)16(26)19(28)24-11-9-23(10-12-24)14-5-3-13(4-6-14)17-21-7-2-8-22-17;1-21-15(25)13(23)14(24)16(26)22-8-6-11(7-9-22)10-2-4-12(5-3-10)17(18,19)20;1-17-15(23)13(21)14(22)16(24)18-11-3-5-12(6-4-11)20-9-7-19(2)8-10-20;1-17-15(22)13(20)14(21)16(23)18-11-5-7-12(8-6-11)24-10-4-9-19(2)3;1-16-14(21)12(19)13(20)15(22)17-10-4-6-11(7-5-10)23-9-8-18(2)3;1-4-9(2)10-5-7-11(8-6-10)17-15(21)13(19)12(18)14(20)16-3;1-15-13(21)11(19)12(20)14(22)17-9-3-5-10(6-4-9)18-8-2-7-16-18/h2-7,12,14,17-18,23-24H,8-11H2,1H3,(H,21,25);2-8,15-16,25-26H,9-12H2,1H3,(H,20,27);2-5,11,13-14,23-24H,6-9H2,1H3,(H,21,25);3-6,13-14,21-22H,7-10H2,1-2H3,(H,17,23)(H,18,24);5-8,13-14,20-21H,4,9-10H2,1-3H3,(H,17,22)(H,18,23);4-7,12-13,19-20H,8-9H2,1-3H3,(H,16,21)(H,17,22);5-9,12-13,18-19H,4H2,1-3H3,(H,16,20)(H,17,21);2-8,11-12,19-20H,1H3,(H,15,21)(H,17,22)/t17-,18-;15-,16-;3*13-,14-;12-,13-;9?,12-,13-;11-,12-/m11111111/s1
InChIKeyADHIMIPWZXFTHY-TUXZASFKSA-N
MW2716.01 g/mol
LogP-1.66
Rot. Bonds46
About (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide
(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide (PubChem CID 157078879) has the molecular formula C132H178F3N25O34 and a molecular weight of 2716.01 g/mol. Its IUPAC name is (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide.
Molecular Properties
| Compound Name | (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide |
|---|---|
| PubChem CID | 157078879 |
| Molecular Formula | C132H178F3N25O34 |
| Molecular Weight | 2716.01 g/mol |
| Exact Mass | 2714.29 |
| IUPAC Name | (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide |
| SMILES | CCC(C)c1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)NC)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(OCCCN(C)C)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(OCCN(C)C)cc1 |
| InChI | InChI=1S/C20H24N2O4.C19H23N5O4.C17H21F3N2O4.C16H24N4O4.C16H25N3O5.C15H23N3O5.C15H22N2O4.C14H16N4O4/c1-21-19(25)17(23)18(24)20(26)22-10-8-14(9-11-22)16-7-6-13-4-2-3-5-15(13)12-16;1-20-18(27)15(25)16(26)19(28)24-11-9-23(10-12-24)14-5-3-13(4-6-14)17-21-7-2-8-22-17;1-21-15(25)13(23)14(24)16(26)22-8-6-11(7-9-22)10-2-4-12(5-3-10)17(18,19)20;1-17-15(23)13(21)14(22)16(24)18-11-3-5-12(6-4-11)20-9-7-19(2)8-10-20;1-17-15(22)13(20)14(21)16(23)18-11-5-7-12(8-6-11)24-10-4-9-19(2)3;1-16-14(21)12(19)13(20)15(22)17-10-4-6-11(7-5-10)23-9-8-18(2)3;1-4-9(2)10-5-7-11(8-6-10)17-15(21)13(19)12(18)14(20)16-3;1-15-13(21)11(19)12(20)14(22)17-9-3-5-10(6-4-9)18-8-2-7-16-18/h2-7,12,14,17-18,23-24H,8-11H2,1H3,(H,21,25);2-8,15-16,25-26H,9-12H2,1H3,(H,20,27);2-5,11,13-14,23-24H,6-9H2,1H3,(H,21,25);3-6,13-14,21-22H,7-10H2,1-2H3,(H,17,23)(H,18,24);5-8,13-14,20-21H,4,9-10H2,1-3H3,(H,17,22)(H,18,23);4-7,12-13,19-20H,8-9H2,1-3H3,(H,16,21)(H,17,22);5-9,12-13,18-19H,4H2,1-3H3,(H,16,20)(H,17,21);2-8,11-12,19-20H,1H3,(H,15,21)(H,17,22)/t17-,18-;15-,16-;3*13-,14-;12-,13-;9?,12-,13-;11-,12-/m11111111/s1 |
| InChIKey | ADHIMIPWZXFTHY-TUXZASFKSA-N |
| XLogP | -1.66 |
| TPSA | 841.17 Ų |
| H-Bond Donors | 29 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 194 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2716.01 |
| LogP ≤ 5 | -1.66 |
| H-Bond Donors ≤ 5 | 29 |
| H-Bond Acceptors ≤ 10 | 43 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide?
The IUPAC name of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide (CID 157078879) is (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide.
What is the SMILES notation for (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide?
The canonical SMILES for (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide is CCC(C)c1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)NC)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(OCCCN(C)C)cc1.CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide?
The InChIKey is ADHIMIPWZXFTHY-TUXZASFKSA-N. The full InChI is InChI=1S/C20H24N2O4.C19H23N5O4.C17H21F3N2O4.C16H24N4O4.C16H25N3O5.C15H23N3O5.C15H22N2O4.C14H16N4O4/c1-21-19(25)17(23)18(24)20(26)22-10-8-14(9-11-22)16-7-6-13-4-2-3-5-15(13)12-16;1-20-18(27)15(25)16(26)19(28)24-11-9-23(10-12-24)14-5-3-13(4-6-14)17-21-7-2-8-22-17;1-21-15(25)13(23)14(24)16(26)22-8-6-11(7-9-22)10-2-4-12(5-3-10)17(18,19)20;1-17-15(23)13(21)14(22)16(24)18-11-3-5-12(6-4-11)20-9-7-19(2)8-10-20;1-17-15(22)13(20)14(21)16(23)18-11-5-7-12(8-6-11)24-10-4-9-19(2)3;1-16-14(21)12(19)13(20)15(22)17-10-4-6-11(7-5-10)23-9-8-18(2)3;1-4-9(2)10-5-7-11(8-6-10)17-15(21)13(19)12(18)14(20)16-3;1-15-13(21)11(19)12(20)14(22)17-9-3-5-10(6-4-9)18-8-2-7-16-18/h2-7,12,14,17-18,23-24H,8-11H2,1H3,(H,21,25);2-8,15-16,25-26H,9-12H2,1H3,(H,20,27);2-5,11,13-14,23-24H,6-9H2,1H3,(H,21,25);3-6,13-14,21-22H,7-10H2,1-2H3,(H,17,23)(H,18,24);5-8,13-14,20-21H,4,9-10H2,1-3H3,(H,17,22)(H,18,23);4-7,12-13,19-20H,8-9H2,1-3H3,(H,16,21)(H,17,22);5-9,12-13,18-19H,4H2,1-3H3,(H,16,20)(H,17,21);2-8,11-12,19-20H,1H3,(H,15,21)(H,17,22)/t17-,18-;15-,16-;3*13-,14-;12-,13-;9?,12-,13-;11-,12-/m11111111/s1.
What are the key properties of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide?
(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide has a molecular weight of 2716.01 g/mol, XLogP of -1.66, 46 rotatable bonds, 29 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N'-methylbutanediamide is sourced from PubChem (CID 157078879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157078879 — identifiers, structure, computed properties (public domain)
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