N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane

C127H130N32O21 — CID 158279626

About N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane

N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane (PubChem CID 158279626) has the molecular formula C127H130N32O21 and a molecular weight of 2440.64 g/mol. Its IUPAC name is N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane.

Molecular Properties

• Compound Name: N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane
• PubChem CID: 158279626
• Molecular Formula: C127H130N32O21
• Molecular Weight: 2440.64 g/mol
• Exact Mass: 2439.01
• IUPAC Name: N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane
• SMILES: C.CCn1c2ccccc2c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21.COc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12.COc1ccc(Cc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cc3ccccc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCCCC3)cc2)n(C)c1=O
• InChI: InChI=1S/C23H22N6O3.C23H23N5O4.C22H19N5O5.C22H21N5O3.C20H24N6O3.C16H17N5O3.CH4/c1-4-29-17-8-6-5-7-15(17)16-11-14(9-10-18(16)29)25-19(30)12-28-13-24-21-20(28)22(31)27(3)23(32)26(21)2;1-26-21-20(22(30)27(2)23(26)31)28(14-24-21)13-19(29)25-17-8-4-15(5-9-17)12-16-6-10-18(32-3)11-7-16;1-25-20-19(21(29)26(2)22(25)30)27(11-23-20)10-18(28)24-14-9-16-13(8-17(14)31-3)12-6-4-5-7-15(12)32-16;1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)13-18(28)24-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15;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;1-10-4-6-11(7-5-10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2;/h5-11,13H,4,12H2,1-3H3,(H,25,30);4-11,14H,12-13H2,1-3H3,(H,25,29);4-9,11H,10H2,1-3H3,(H,24,28);3-11,14H,12-13H2,1-2H3,(H,24,28);6-9,13H,3-5,10-12H2,1-2H3,(H,22,27);4-7,9H,8H2,1-3H3,(H,18,22);1H4
• InChIKey: GKBAQNZGMMCMMV-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 585.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 26
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2440.64
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

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-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane?

The IUPAC name of N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane (CID 158279626) is N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane.

What is the SMILES notation for N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane?

The canonical SMILES for N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane is C.CCn1c2ccccc2c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21.COc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12.COc1ccc(Cc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cc3ccccc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCCCC3)cc2)n(C)c1=O.

What is the InChIKey of N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane?

The InChIKey is GKBAQNZGMMCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3.C23H23N5O4.C22H19N5O5.C22H21N5O3.C20H24N6O3.C16H17N5O3.CH4/c1-4-29-17-8-6-5-7-15(17)16-11-14(9-10-18(16)29)25-19(30)12-28-13-24-21-20(28)22(31)27(3)23(32)26(21)2;1-26-21-20(22(30)27(2)23(26)31)28(14-24-21)13-19(29)25-17-8-4-15(5-9-17)12-16-6-10-18(32-3)11-7-16;1-25-20-19(21(29)26(2)22(25)30)27(11-23-20)10-18(28)24-14-9-16-13(8-17(14)31-3)12-6-4-5-7-15(12)32-16;1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)13-18(28)24-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15;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;1-10-4-6-11(7-5-10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2;/h5-11,13H,4,12H2,1-3H3,(H,25,30);4-11,14H,12-13H2,1-3H3,(H,25,29);4-9,11H,10H2,1-3H3,(H,24,28);3-11,14H,12-13H2,1-2H3,(H,24,28);6-9,13H,3-5,10-12H2,1-2H3,(H,22,27);4-7,9H,8H2,1-3H3,(H,18,22);1H4.

What are the key properties of N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane?

N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane has a molecular weight of 2440.64 g/mol, XLogP of 9.60, 26 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane is sourced from PubChem (CID 158279626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).