N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide

C141H148F3N37O23S2 — CID 159290314

About N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide

N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 159290314) has the molecular formula C141H148F3N37O23S2 and a molecular weight of 2850.10 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide
• PubChem CID: 159290314
• Molecular Formula: C141H148F3N37O23S2
• Molecular Weight: 2850.10 g/mol
• Exact Mass: 2848.09
• IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide
• SMILES: CCCCc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1.CSc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C(F)(F)F.Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCCCC3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Oc3ccccc3)cc2)n(C)c1=O
• InChI: InChI=1S/C25H29N5O3.C22H21N5O4.C21H19N5O4.C20H22N6O3S.C20H24N6O3.C17H16F3N5O3.C16H17N5O3S/c1-28-22-21(23(32)29(2)24(28)33)30(14-26-22)13-20(31)27-19-5-3-18(4-6-19)25-10-15-7-16(11-25)9-17(8-15)12-25;1-14-4-8-16(9-5-14)31-17-10-6-15(7-11-17)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-14-8-10-16(11-9-14)30-15-6-4-3-5-7-15;1-4-5-6-12-7-8-13-14(9-12)30-19(22-13)23-15(27)10-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2;1-23-18-17(19(28)24(2)20(23)29)26(13-21-18)12-16(27)22-14-6-8-15(9-7-14)25-10-4-3-5-11-25;1-9-4-5-10(6-11(9)17(18,19)20)22-12(26)7-25-8-21-14-13(25)15(27)24(3)16(28)23(14)2;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-4-6-11(25-3)7-5-10/h3-6,14-17H,7-13H2,1-2H3,(H,27,31);4-11,13H,12H2,1-3H3,(H,24,28);3-11,13H,12H2,1-2H3,(H,23,27);7-9,11H,4-6,10H2,1-3H3,(H,22,23,27);6-9,13H,3-5,10-12H2,1-2H3,(H,22,27);4-6,8H,7H2,1-3H3,(H,22,26);4-7,9H,8H2,1-3H3,(H,18,22)
• InChIKey: LAALXBKWJDSAKO-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 671.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 55
• Rotatable Bonds: 31
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.10
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide?

The IUPAC name of N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 159290314) is N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide?

The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide is CCCCc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1.CSc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C(F)(F)F.Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCCCC3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Oc3ccccc3)cc2)n(C)c1=O.

What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide?

The InChIKey is LAALXBKWJDSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3.C22H21N5O4.C21H19N5O4.C20H22N6O3S.C20H24N6O3.C17H16F3N5O3.C16H17N5O3S/c1-28-22-21(23(32)29(2)24(28)33)30(14-26-22)13-20(31)27-19-5-3-18(4-6-19)25-10-15-7-16(11-25)9-17(8-15)12-25;1-14-4-8-16(9-5-14)31-17-10-6-15(7-11-17)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-14-8-10-16(11-9-14)30-15-6-4-3-5-7-15;1-4-5-6-12-7-8-13-14(9-12)30-19(22-13)23-15(27)10-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2;1-23-18-17(19(28)24(2)20(23)29)26(13-21-18)12-16(27)22-14-6-8-15(9-7-14)25-10-4-3-5-11-25;1-9-4-5-10(6-11(9)17(18,19)20)22-12(26)7-25-8-21-14-13(25)15(27)24(3)16(28)23(14)2;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-4-6-11(25-3)7-5-10/h3-6,14-17H,7-13H2,1-2H3,(H,27,31);4-11,13H,12H2,1-3H3,(H,24,28);3-11,13H,12H2,1-2H3,(H,23,27);7-9,11H,4-6,10H2,1-3H3,(H,22,23,27);6-9,13H,3-5,10-12H2,1-2H3,(H,22,27);4-6,8H,7H2,1-3H3,(H,22,26);4-7,9H,8H2,1-3H3,(H,18,22).

What are the key properties of N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide?

N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 2850.10 g/mol, XLogP of 11.86, 31 rotatable bonds, 7 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 159290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).