N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

C104H120F5N31O18S — CID 159999777

About N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 159999777) has the molecular formula C104H120F5N31O18S and a molecular weight of 2219.36 g/mol. Its IUPAC name is N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 159999777
• Molecular Formula: C104H120F5N31O18S
• Molecular Weight: 2219.36 g/mol
• Exact Mass: 2217.91
• IUPAC Name: N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CC1CCCCC1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCCc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cc1ccc(F)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1F.Cn1c(=O)c2c(ncn2CC(=O)NC2CCCCCCC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)NCc2cccc(C(C)(F)F)c2)n(C)c1=O
• InChI: InChI=1S/C21H22N6O3S.C18H19F2N5O3.C17H25N5O3.C16H15F2N5O3.C16H16FN5O3.C16H23N5O3/c1-4-5-13-6-8-14(9-7-13)15-11-31-20(23-15)24-16(28)10-27-12-22-18-17(27)19(29)26(3)21(30)25(18)2;1-18(19,20)12-6-4-5-11(7-12)8-21-13(26)9-25-10-22-15-14(25)16(27)24(3)17(28)23(15)2;1-20-15-14(16(24)21(2)17(20)25)22(11-18-15)10-13(23)19-12-8-6-4-3-5-7-9-12;1-8-4-5-9(12(18)11(8)17)20-10(24)6-23-7-19-14-13(23)15(25)22(3)16(26)21(14)2;1-9-4-5-10(17)11(6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24,28);4-7,10H,8-9H2,1-3H3,(H,21,26);11-12H,3-10H2,1-2H3,(H,19,23);4-5,7H,6H2,1-3H3,(H,20,24);4-6,8H,7H2,1-3H3,(H,19,23);9-11H,4-8H2,1-3H3,(H,18,22)
• InChIKey: OHZZQBPJUCBANT-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 558.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2219.36
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 159999777) is N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CC1CCCCC1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCCc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cc1ccc(F)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1F.Cn1c(=O)c2c(ncn2CC(=O)NC2CCCCCCC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)NCc2cccc(C(C)(F)F)c2)n(C)c1=O.

What is the InChIKey of N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is OHZZQBPJUCBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S.C18H19F2N5O3.C17H25N5O3.C16H15F2N5O3.C16H16FN5O3.C16H23N5O3/c1-4-5-13-6-8-14(9-7-13)15-11-31-20(23-15)24-16(28)10-27-12-22-18-17(27)19(29)26(3)21(30)25(18)2;1-18(19,20)12-6-4-5-11(7-12)8-21-13(26)9-25-10-22-15-14(25)16(27)24(3)17(28)23(15)2;1-20-15-14(16(24)21(2)17(20)25)22(11-18-15)10-13(23)19-12-8-6-4-3-5-7-9-12;1-8-4-5-9(12(18)11(8)17)20-10(24)6-23-7-19-14-13(23)15(25)22(3)16(26)21(14)2;1-9-4-5-10(17)11(6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24,28);4-7,10H,8-9H2,1-3H3,(H,21,26);11-12H,3-10H2,1-2H3,(H,19,23);4-5,7H,6H2,1-3H3,(H,20,24);4-6,8H,7H2,1-3H3,(H,19,23);9-11H,4-8H2,1-3H3,(H,18,22).

What are the key properties of N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?

N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 2219.36 g/mol, XLogP of 4.98, 23 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 159999777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).