N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide

C113H135N31O19 — CID 123913173

About N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide

N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 123913173) has the molecular formula C113H135N31O19 and a molecular weight of 2231.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 123913173
• Molecular Formula: C113H135N31O19
• Molecular Weight: 2231.52 g/mol
• Exact Mass: 2230.06
• IUPAC Name: N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]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(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COc1ccc(CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C(C)(C)C)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C2CCCC2)n(C)c1=O
• InChI: InChI=1S/C20H23N5O3.C19H24N6O3.C19H23N5O4.C19H23N5O3.2C18H21N5O3/c1-23-18-17(19(27)24(2)20(23)28)25(12-21-18)11-16(26)22-15-10-6-5-9-14(15)13-7-3-4-8-13;1-22(2)14-7-5-13(6-8-14)9-10-20-15(26)11-25-12-21-17-16(25)18(27)24(4)19(28)23(17)3;1-22-17-16(18(26)23(2)19(22)27)24(12-21-17)11-15(25)20-10-4-5-13-6-8-14(28-3)9-7-13;1-19(2,3)12-6-8-13(9-7-12)21-14(25)10-24-11-20-16-15(24)17(26)23(5)18(27)22(16)4;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;1-12-4-6-13(7-5-12)8-9-19-14(24)10-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,22,26);5-8,12H,9-11H2,1-4H3,(H,20,26);6-9,12H,4-5,10-11H2,1-3H3,(H,20,25);6-9,11H,10H2,1-5H3,(H,21,25);5-8,10-11H,9H2,1-4H3,(H,20,24);4-7,11H,8-10H2,1-3H3,(H,19,24)
• InChIKey: ZCNRLJPBEXMGEP-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 557.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.52
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 123913173) is N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]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(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COc1ccc(CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C(C)(C)C)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C2CCCC2)n(C)c1=O.

What is the InChIKey of N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is ZCNRLJPBEXMGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.C19H24N6O3.C19H23N5O4.C19H23N5O3.2C18H21N5O3/c1-23-18-17(19(27)24(2)20(23)28)25(12-21-18)11-16(26)22-15-10-6-5-9-14(15)13-7-3-4-8-13;1-22(2)14-7-5-13(6-8-14)9-10-20-15(26)11-25-12-21-17-16(25)18(27)24(4)19(28)23(17)3;1-22-17-16(18(26)23(2)19(22)27)24(12-21-17)11-15(25)20-10-4-5-13-6-8-14(28-3)9-7-13;1-19(2,3)12-6-8-13(9-7-12)21-14(25)10-24-11-20-16-15(24)17(26)23(5)18(27)22(16)4;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;1-12-4-6-13(7-5-12)8-9-19-14(24)10-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,22,26);5-8,12H,9-11H2,1-4H3,(H,20,26);6-9,12H,4-5,10-11H2,1-3H3,(H,20,25);6-9,11H,10H2,1-5H3,(H,21,25);5-8,10-11H,9H2,1-4H3,(H,20,24);4-7,11H,8-10H2,1-3H3,(H,19,24).

What are the key properties of N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide?

N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 2231.52 g/mol, XLogP of 4.45, 29 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 123913173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).