N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide

C116H119N37O24 — CID 161374059

About N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide

N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide (PubChem CID 161374059) has the molecular formula C116H119N37O24 and a molecular weight of 2415.46 g/mol. Its IUPAC name is N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide.

Molecular Properties

• Compound Name: N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
• PubChem CID: 161374059
• Molecular Formula: C116H119N37O24
• Molecular Weight: 2415.46 g/mol
• Exact Mass: 2413.92
• IUPAC Name: N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
• SMILES: C=C(N)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C=[N+]([O-])c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CCOc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc3ccccc3c2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2)n(C)c1=O
• InChI: InChI=1S/C19H17N5O3.C17H18N6O3.C17H19N5O4.C16H16N6O4.C16H17N5O4.C16H17N5O3.C15H15N5O3/c1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-14-8-7-12-5-3-4-6-13(12)9-14;1-10(18)11-4-6-12(7-5-11)20-13(24)8-23-9-19-15-14(23)16(25)22(3)17(26)21(15)2;1-4-26-12-7-5-11(6-8-12)19-13(23)9-22-10-18-15-14(22)16(24)21(3)17(25)20(15)2;1-19-14-13(15(24)20(2)16(19)25)22(9-17-14)8-12(23)18-10-4-6-11(7-5-10)21(3)26;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-4-6-11(25-3)7-5-10;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;1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h3-9,11H,10H2,1-2H3,(H,21,25);4-7,9H,1,8,18H2,2-3H3,(H,20,24);5-8,10H,4,9H2,1-3H3,(H,19,23);4-7,9H,3,8H2,1-2H3,(H,18,23);4-7,9H,8H2,1-3H3,(H,18,22);4-7,9H,8H2,1-3H3,(H,18,22);3-7,9H,8H2,1-2H3,(H,17,21)
• InChIKey: PDBFSMMZWHCYEY-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 706.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 53
• Rotatable Bonds: 26
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2415.46
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?

The IUPAC name of N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide (CID 161374059) is N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide.

What is the SMILES notation for N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?

The canonical SMILES for N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide is C=C(N)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C=[N+]([O-])c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CCOc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc3ccccc3c2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2)n(C)c1=O.

What is the InChIKey of N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?

The InChIKey is PDBFSMMZWHCYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3.C17H18N6O3.C17H19N5O4.C16H16N6O4.C16H17N5O4.C16H17N5O3.C15H15N5O3/c1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-14-8-7-12-5-3-4-6-13(12)9-14;1-10(18)11-4-6-12(7-5-11)20-13(24)8-23-9-19-15-14(23)16(25)22(3)17(26)21(15)2;1-4-26-12-7-5-11(6-8-12)19-13(23)9-22-10-18-15-14(22)16(24)21(3)17(25)20(15)2;1-19-14-13(15(24)20(2)16(19)25)22(9-17-14)8-12(23)18-10-4-6-11(7-5-10)21(3)26;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-4-6-11(25-3)7-5-10;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;1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h3-9,11H,10H2,1-2H3,(H,21,25);4-7,9H,1,8,18H2,2-3H3,(H,20,24);5-8,10H,4,9H2,1-3H3,(H,19,23);4-7,9H,3,8H2,1-2H3,(H,18,23);4-7,9H,8H2,1-3H3,(H,18,22);4-7,9H,8H2,1-3H3,(H,18,22);3-7,9H,8H2,1-2H3,(H,17,21).

What are the key properties of N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?

N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide has a molecular weight of 2415.46 g/mol, XLogP of 2.15, 26 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-aminoethenyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]methanimine oxide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide is sourced from PubChem (CID 161374059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).