N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate

C106H117N31O22 — CID 158692148

About N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate

N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate (PubChem CID 158692148) has the molecular formula C106H117N31O22 and a molecular weight of 2177.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
• PubChem CID: 158692148
• Molecular Formula: C106H117N31O22
• Molecular Weight: 2177.30 g/mol
• Exact Mass: 2175.90
• IUPAC Name: N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
• 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.COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)NC(CN2CCCCC2)c2ccccc2)n(C)c1=O
• InChI: InChI=1S/C22H28N6O3.C18H21N5O3.C17H17N5O5.C17H17N5O4.C16H17N5O4.C16H17N5O3/c1-25-20-19(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;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-7-5-4-6-10(11)16(25)27-3;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;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-6-4-5-7-11(10)25-3;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/h3,5-6,9-10,15,17H,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,19,23);4-7,9H,8H2,1-3H3,(H,19,24);4-7,9H,8H2,1-3H3,(H,18,22);4-7,9H,8H2,1-3H3,(H,18,22)
• InChIKey: IGMHWBIJQLMQGP-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 601.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.30
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

The IUPAC name of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate (CID 158692148) is N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.

What is the SMILES notation for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

The canonical SMILES for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate 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.COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.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-(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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

The InChIKey is IGMHWBIJQLMQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3.C18H21N5O3.C17H17N5O5.C17H17N5O4.C16H17N5O4.C16H17N5O3/c1-25-20-19(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;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-7-5-4-6-10(11)16(25)27-3;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;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-6-4-5-7-11(10)25-3;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/h3,5-6,9-10,15,17H,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,19,23);4-7,9H,8H2,1-3H3,(H,19,24);4-7,9H,8H2,1-3H3,(H,18,22);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-(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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate has a molecular weight of 2177.30 g/mol, XLogP of 2.32, 25 rotatable bonds, 6 hydrogen bond donors, and 47 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-(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-methoxyphenyl)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;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate is sourced from PubChem (CID 158692148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).