N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide

C90H98N26O15 — CID 123955512

About N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide

N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide (PubChem CID 123955512) has the molecular formula C90H98N26O15 and a molecular weight of 1783.94 g/mol. Its IUPAC name is N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide
• PubChem CID: 123955512
• Molecular Formula: C90H98N26O15
• Molecular Weight: 1783.94 g/mol
• Exact Mass: 1782.77
• IUPAC Name: N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CN(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)NC(c2ccccc2)c2ccccc2)n(C)c1=O
• InChI: InChI=1S/C22H21N5O3.C18H21N5O3.C17H20N6O3.C17H19N5O3.C16H17N5O3/c1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)13-17(28)24-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-20(2)12-7-5-11(6-8-12)19-13(24)9-23-10-18-15-14(23)16(25)22(4)17(26)21(15)3;1-10-5-6-12(11(2)7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(4)17(25)20(15)3;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/h3-12,14,18H,13H2,1-2H3,(H,24,28);5-8,10-11H,9H2,1-4H3,(H,20,24);5-8,10H,9H2,1-4H3,(H,19,24);5-7,9H,8H2,1-4H3,(H,19,23);4-7,9H,8H2,1-3H3,(H,18,22)
• InChIKey: HYRAYLSEEHEDKZ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 457.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1783.94
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

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-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide?

The IUPAC name of N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide (CID 123955512) is N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CN(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)NC(c2ccccc2)c2ccccc2)n(C)c1=O.

What is the InChIKey of N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide?

The InChIKey is HYRAYLSEEHEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3.C18H21N5O3.C17H20N6O3.C17H19N5O3.C16H17N5O3/c1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)13-17(28)24-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-20(2)12-7-5-11(6-8-12)19-13(24)9-23-10-18-15-14(23)16(25)22(4)17(26)21(15)3;1-10-5-6-12(11(2)7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(4)17(25)20(15)3;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/h3-12,14,18H,13H2,1-2H3,(H,24,28);5-8,10-11H,9H2,1-4H3,(H,20,24);5-8,10H,9H2,1-4H3,(H,19,24);5-7,9H,8H2,1-4H3,(H,19,23);4-7,9H,8H2,1-3H3,(H,18,22).

What are the key properties of N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide?

N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide has a molecular weight of 1783.94 g/mol, XLogP of 3.74, 19 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzhydryl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(dimethylamino)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)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-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 123955512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).