N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide

C96H105N27O17 — CID 123316381

About N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide

N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide (PubChem CID 123316381) has the molecular formula C96H105N27O17 and a molecular weight of 1909.07 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
• PubChem CID: 123316381
• Molecular Formula: C96H105N27O17
• Molecular Weight: 1909.07 g/mol
• Exact Mass: 1907.82
• IUPAC Name: N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
• SMILES: CC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CCc1cccc(C)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)NC(CN2CCCCC2)c2ccccc2)n(C)c1=O
• InChI: InChI=1S/C23H22N6O4.C22H28N6O3.C18H21N5O3.C17H17N5O4.C16H17N5O3/c1-14-7-6-8-15(11-14)25-21(31)16-9-4-5-10-17(16)26-18(30)12-29-13-24-20-19(29)22(32)28(3)23(33)27(20)2;1-25-20-19(21(30)26(2)22(25)31)28(15-23-20)14-18(29)24-17(16-9-5-3-6-10-16)13-27-11-7-4-8-12-27;1-5-12-8-6-7-11(2)14(12)20-13(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-10(23)11-4-6-12(7-5-11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)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/h4-11,13H,12H2,1-3H3,(H,25,31)(H,26,30);3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,24,29);6-8,10H,5,9H2,1-4H3,(H,20,24);4-7,9H,8H2,1-3H3,(H,19,24);4-7,9H,8H2,1-3H3,(H,18,22)
• InChIKey: QDPVEXAXZFGNFH-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 504.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.07
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?

The IUPAC name of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide (CID 123316381) is N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide.

What is the SMILES notation for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?

The canonical SMILES for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide is CC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CCc1cccc(C)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)NC(CN2CCCCC2)c2ccccc2)n(C)c1=O.

What is the InChIKey of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?

The InChIKey is QDPVEXAXZFGNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4.C22H28N6O3.C18H21N5O3.C17H17N5O4.C16H17N5O3/c1-14-7-6-8-15(11-14)25-21(31)16-9-4-5-10-17(16)26-18(30)12-29-13-24-20-19(29)22(32)28(3)23(33)27(20)2;1-25-20-19(21(30)26(2)22(25)31)28(15-23-20)14-18(29)24-17(16-9-5-3-6-10-16)13-27-11-7-4-8-12-27;1-5-12-8-6-7-11(2)14(12)20-13(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-10(23)11-4-6-12(7-5-11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)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/h4-11,13H,12H2,1-3H3,(H,25,31)(H,26,30);3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,24,29);6-8,10H,5,9H2,1-4H3,(H,20,24);4-7,9H,8H2,1-3H3,(H,19,24);4-7,9H,8H2,1-3H3,(H,18,22).

What are the key properties of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?

N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide has a molecular weight of 1909.07 g/mol, XLogP of 4.01, 22 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-(3-methylphenyl)benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 123316381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).