(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C145H196N24O35 — CID 160513728

IUPAC(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCCC(C)c1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCCc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3)cc2)CC1.O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/C20H22N2O5.C19H28N4O4.C19H29N3O5.C18H27N3O5.C18H26N2O4.2C17H20N4O4.C17H24N2O4/c23-17(18(24)20(26)22-12-4-5-13-22)19(25)21-14-8-10-16(11-9-14)27-15-6-2-1-3-7-15;1-21-10-12-22(13-11-21)15-6-4-14(5-7-15)20-18(26)16(24)17(25)19(27)23-8-2-3-9-23;1-21(2)10-5-13-27-15-8-6-14(7-9-15)20-18(25)16(23)17(24)19(26)22-11-3-4-12-22;1-20(2)11-12-26-14-7-5-13(6-8-14)19-17(24)15(22)16(23)18(25)21-9-3-4-10-21;1-3-12(2)13-6-8-14(9-7-13)19-17(23)15(21)16(22)18(24)20-10-4-5-11-20;22-14(15(23)17(25)20-9-1-2-10-20)16(24)19-12-4-6-13(7-5-12)21-11-3-8-18-21;22-14(15(23)17(25)21-9-1-2-10-21)16(24)19-12-5-3-11(4-6-12)13-7-8-18-20-13;1-2-5-12-6-8-13(9-7-12)18-16(22)14(20)15(21)17(23)19-10-3-4-11-19/h1-3,6-11,17-18,23-24H,4-5,12-13H2,(H,21,25);4-7,16-17,24-25H,2-3,8-13H2,1H3,(H,20,26);6-9,16-17,23-24H,3-5,10-13H2,1-2H3,(H,20,25);5-8,15-16,22-23H,3-4,9-12H2,1-2H3,(H,19,24);6-9,12,15-16,21-22H,3-5,10-11H2,1-2H3,(H,19,23);3-8,11,14-15,22-23H,1-2,9-10H2,(H,19,24);3-8,14-15,22-23H,1-2,9-10H2,(H,18,20)(H,19,24);6-9,14-15,20-21H,2-5,10-11H2,1H3,(H,18,22)/t17-,18-;2*16-,17-;15-,16-;12?,15-,16-;3*14-,15-/m11111111/s1
InChIKeyQTJJLCWJWSPLTP-FPCZYFGNSA-N
MW2835.30 g/mol
LogP4.61
Rot. Bonds50

About (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 160513728) has the molecular formula C145H196N24O35 and a molecular weight of 2835.30 g/mol. Its IUPAC name is (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID160513728
Molecular FormulaC145H196N24O35
Molecular Weight2835.30 g/mol
Exact Mass2833.43
IUPAC Name(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCCC(C)c1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCCc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3)cc2)CC1.O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/C20H22N2O5.C19H28N4O4.C19H29N3O5.C18H27N3O5.C18H26N2O4.2C17H20N4O4.C17H24N2O4/c23-17(18(24)20(26)22-12-4-5-13-22)19(25)21-14-8-10-16(11-9-14)27-15-6-2-1-3-7-15;1-21-10-12-22(13-11-21)15-6-4-14(5-7-15)20-18(26)16(24)17(25)19(27)23-8-2-3-9-23;1-21(2)10-5-13-27-15-8-6-14(7-9-15)20-18(25)16(23)17(24)19(26)22-11-3-4-12-22;1-20(2)11-12-26-14-7-5-13(6-8-14)19-17(24)15(22)16(23)18(25)21-9-3-4-10-21;1-3-12(2)13-6-8-14(9-7-13)19-17(23)15(21)16(22)18(24)20-10-4-5-11-20;22-14(15(23)17(25)20-9-1-2-10-20)16(24)19-12-4-6-13(7-5-12)21-11-3-8-18-21;22-14(15(23)17(25)21-9-1-2-10-21)16(24)19-12-5-3-11(4-6-12)13-7-8-18-20-13;1-2-5-12-6-8-13(9-7-12)18-16(22)14(20)15(21)17(23)19-10-3-4-11-19/h1-3,6-11,17-18,23-24H,4-5,12-13H2,(H,21,25);4-7,16-17,24-25H,2-3,8-13H2,1H3,(H,20,26);6-9,16-17,23-24H,3-5,10-13H2,1-2H3,(H,20,25);5-8,15-16,22-23H,3-4,9-12H2,1-2H3,(H,19,24);6-9,12,15-16,21-22H,3-5,10-11H2,1-2H3,(H,19,23);3-8,11,14-15,22-23H,1-2,9-10H2,(H,19,24);3-8,14-15,22-23H,1-2,9-10H2,(H,18,20)(H,19,24);6-9,14-15,20-21H,2-5,10-11H2,1H3,(H,18,22)/t17-,18-;2*16-,17-;15-,16-;12?,15-,16-;3*14-,15-/m11111111/s1
InChIKeyQTJJLCWJWSPLTP-FPCZYFGNSA-N
XLogP4.61
TPSA806.11 Ų
H-Bond Donors25
H-Bond Acceptors42
Rotatable Bonds50
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002835.30
LogP ≤ 54.61
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1042

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)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 160513728) is (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is CCC(C)c1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCCc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN(C)CCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3)cc2)CC1.O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is QTJJLCWJWSPLTP-FPCZYFGNSA-N. The full InChI is InChI=1S/C20H22N2O5.C19H28N4O4.C19H29N3O5.C18H27N3O5.C18H26N2O4.2C17H20N4O4.C17H24N2O4/c23-17(18(24)20(26)22-12-4-5-13-22)19(25)21-14-8-10-16(11-9-14)27-15-6-2-1-3-7-15;1-21-10-12-22(13-11-21)15-6-4-14(5-7-15)20-18(26)16(24)17(25)19(27)23-8-2-3-9-23;1-21(2)10-5-13-27-15-8-6-14(7-9-15)20-18(25)16(23)17(24)19(26)22-11-3-4-12-22;1-20(2)11-12-26-14-7-5-13(6-8-14)19-17(24)15(22)16(23)18(25)21-9-3-4-10-21;1-3-12(2)13-6-8-14(9-7-13)19-17(23)15(21)16(22)18(24)20-10-4-5-11-20;22-14(15(23)17(25)20-9-1-2-10-20)16(24)19-12-4-6-13(7-5-12)21-11-3-8-18-21;22-14(15(23)17(25)21-9-1-2-10-21)16(24)19-12-5-3-11(4-6-12)13-7-8-18-20-13;1-2-5-12-6-8-13(9-7-12)18-16(22)14(20)15(21)17(23)19-10-3-4-11-19/h1-3,6-11,17-18,23-24H,4-5,12-13H2,(H,21,25);4-7,16-17,24-25H,2-3,8-13H2,1H3,(H,20,26);6-9,16-17,23-24H,3-5,10-13H2,1-2H3,(H,20,25);5-8,15-16,22-23H,3-4,9-12H2,1-2H3,(H,19,24);6-9,12,15-16,21-22H,3-5,10-11H2,1-2H3,(H,19,23);3-8,11,14-15,22-23H,1-2,9-10H2,(H,19,24);3-8,14-15,22-23H,1-2,9-10H2,(H,18,20)(H,19,24);6-9,14-15,20-21H,2-5,10-11H2,1H3,(H,18,22)/t17-,18-;2*16-,17-;15-,16-;12?,15-,16-;3*14-,15-/m11111111/s1.
What are the key properties of (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
(2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 2835.30 g/mol, XLogP of 4.61, 50 rotatable bonds, 25 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-butan-2-ylphenyl)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenoxyphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-propylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 160513728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).