(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide

C138H188F3N23O36 — CID 158224632

IUPAC(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)cc1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2)cc1.CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C21H26N2O4.C18H23F3N2O4.C18H20N2O5.C17H26N4O4.C17H27N3O5.C16H23N3O5.C16H25N3O5.C15H18N4O4/c1-22(2)20(26)18(24)19(25)21(27)23-11-9-15(10-12-23)17-8-7-14-5-3-4-6-16(14)13-17;1-22(2)16(26)14(24)15(25)17(27)23-9-7-12(8-10-23)11-3-5-13(6-4-11)18(19,20)21;1-20(2)18(24)16(22)15(21)17(23)19-12-8-10-14(11-9-12)25-13-6-4-3-5-7-13;1-19(2)17(25)15(23)14(22)16(24)18-12-4-6-13(7-5-12)21-10-8-20(3)9-11-21;1-19(2)10-5-11-25-13-8-6-12(7-9-13)18-16(23)14(21)15(22)17(24)20(3)4;1-18(2)16(23)14(21)13(20)15(22)17-11-3-5-12(6-4-11)19-7-9-24-10-8-19;1-18(2)9-10-24-12-7-5-11(6-8-12)17-15(22)13(20)14(21)16(23)19(3)4;1-18(2)15(23)13(21)12(20)14(22)17-10-4-6-11(7-5-10)19-9-3-8-16-19/h3-8,13,15,18-19,24-25H,9-12H2,1-2H3;3-6,12,14-15,24-25H,7-10H2,1-2H3;3-11,15-16,21-22H,1-2H3,(H,19,23);4-7,14-15,22-23H,8-11H2,1-3H3,(H,18,24);6-9,14-15,21-22H,5,10-11H2,1-4H3,(H,18,23);3-6,13-14,20-21H,7-10H2,1-2H3,(H,17,22);5-8,13-14,20-21H,9-10H2,1-4H3,(H,17,22);3-9,12-13,20-21H,1-2H3,(H,17,22)/t18-,19-;14-,15-;15-,16-;2*14-,15-;2*13-,14-;12-,13-/m11111111/s1
InChIKeyGDQNLNJFXBRSKK-LGSFJYLDSA-N
MW2802.14 g/mol
LogP1.03
Rot. Bonds46

About (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide

(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide (PubChem CID 158224632) has the molecular formula C138H188F3N23O36 and a molecular weight of 2802.14 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide
PubChem CID158224632
Molecular FormulaC138H188F3N23O36
Molecular Weight2802.14 g/mol
Exact Mass2800.35
IUPAC Name(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)cc1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2)cc1.CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C21H26N2O4.C18H23F3N2O4.C18H20N2O5.C17H26N4O4.C17H27N3O5.C16H23N3O5.C16H25N3O5.C15H18N4O4/c1-22(2)20(26)18(24)19(25)21(27)23-11-9-15(10-12-23)17-8-7-14-5-3-4-6-16(14)13-17;1-22(2)16(26)14(24)15(25)17(27)23-9-7-12(8-10-23)11-3-5-13(6-4-11)18(19,20)21;1-20(2)18(24)16(22)15(21)17(23)19-12-8-10-14(11-9-12)25-13-6-4-3-5-7-13;1-19(2)17(25)15(23)14(22)16(24)18-12-4-6-13(7-5-12)21-10-8-20(3)9-11-21;1-19(2)10-5-11-25-13-8-6-12(7-9-13)18-16(23)14(21)15(22)17(24)20(3)4;1-18(2)16(23)14(21)13(20)15(22)17-11-3-5-12(6-4-11)19-7-9-24-10-8-19;1-18(2)9-10-24-12-7-5-11(6-8-12)17-15(22)13(20)14(21)16(23)19(3)4;1-18(2)15(23)13(21)12(20)14(22)17-10-4-6-11(7-5-10)19-9-3-8-16-19/h3-8,13,15,18-19,24-25H,9-12H2,1-2H3;3-6,12,14-15,24-25H,7-10H2,1-2H3;3-11,15-16,21-22H,1-2H3,(H,19,23);4-7,14-15,22-23H,8-11H2,1-3H3,(H,18,24);6-9,14-15,21-22H,5,10-11H2,1-4H3,(H,18,23);3-6,13-14,20-21H,7-10H2,1-2H3,(H,17,22);5-8,13-14,20-21H,9-10H2,1-4H3,(H,17,22);3-9,12-13,20-21H,1-2H3,(H,17,22)/t18-,19-;14-,15-;15-,16-;2*14-,15-;2*13-,14-;12-,13-/m11111111/s1
InChIKeyGDQNLNJFXBRSKK-LGSFJYLDSA-N
XLogP1.03
TPSA772.32 Ų
H-Bond Donors22
H-Bond Acceptors43
Rotatable Bonds46
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.14
LogP ≤ 51.03
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide with MolForge

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Related Compounds

(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
(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)-2,3-dihydroxy-N-methyl-N'-[4-(1H-pyrazol-5-yl)phenyl]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 160330219
(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(1H-pyrazol-5-yl)phenyl]butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide
CID 161705514
(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N',N'-dimethylbutanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide
CID 162126369

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide (CID 158224632) is (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide is CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)cc1.CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(Oc2ccccc2)cc1.CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)cc2)CC1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide?
The InChIKey is GDQNLNJFXBRSKK-LGSFJYLDSA-N. The full InChI is InChI=1S/C21H26N2O4.C18H23F3N2O4.C18H20N2O5.C17H26N4O4.C17H27N3O5.C16H23N3O5.C16H25N3O5.C15H18N4O4/c1-22(2)20(26)18(24)19(25)21(27)23-11-9-15(10-12-23)17-8-7-14-5-3-4-6-16(14)13-17;1-22(2)16(26)14(24)15(25)17(27)23-9-7-12(8-10-23)11-3-5-13(6-4-11)18(19,20)21;1-20(2)18(24)16(22)15(21)17(23)19-12-8-10-14(11-9-12)25-13-6-4-3-5-7-13;1-19(2)17(25)15(23)14(22)16(24)18-12-4-6-13(7-5-12)21-10-8-20(3)9-11-21;1-19(2)10-5-11-25-13-8-6-12(7-9-13)18-16(23)14(21)15(22)17(24)20(3)4;1-18(2)16(23)14(21)13(20)15(22)17-11-3-5-12(6-4-11)19-7-9-24-10-8-19;1-18(2)9-10-24-12-7-5-11(6-8-12)17-15(22)13(20)14(21)16(23)19(3)4;1-18(2)15(23)13(21)12(20)14(22)17-10-4-6-11(7-5-10)19-9-3-8-16-19/h3-8,13,15,18-19,24-25H,9-12H2,1-2H3;3-6,12,14-15,24-25H,7-10H2,1-2H3;3-11,15-16,21-22H,1-2H3,(H,19,23);4-7,14-15,22-23H,8-11H2,1-3H3,(H,18,24);6-9,14-15,21-22H,5,10-11H2,1-4H3,(H,18,23);3-6,13-14,20-21H,7-10H2,1-2H3,(H,17,22);5-8,13-14,20-21H,9-10H2,1-4H3,(H,17,22);3-9,12-13,20-21H,1-2H3,(H,17,22)/t18-,19-;14-,15-;15-,16-;2*14-,15-;2*13-,14-;12-,13-/m11111111/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide?
(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide has a molecular weight of 2802.14 g/mol, XLogP of 1.03, 46 rotatable bonds, 22 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-morpholin-4-ylphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-phenoxyphenyl)butanediamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(4-pyrazol-1-ylphenyl)butanediamide;(2R,3R)-N'-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide;(2R,3R)-N'-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-N,N-dimethylbutanediamide is sourced from PubChem (CID 158224632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).