N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide

C138H132N34O22 — CID 158390974

About N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide

N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide (PubChem CID 158390974) has the molecular formula C138H132N34O22 and a molecular weight of 2618.79 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide
• PubChem CID: 158390974
• Molecular Formula: C138H132N34O22
• Molecular Weight: 2618.79 g/mol
• Exact Mass: 2617.03
• IUPAC Name: N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide
• SMILES: CCCCC(NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nc2ccccc2[nH]1.Cn1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1nnc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1nnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnnn1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1n[nH]nc1-c1ccccc1
• InChI: InChI=1S/C22H20N6O3.3C20H19N5O3.2C19H17N5O3.C18H21N3O4/c1-13-11-18(27-28(13)22-25-15-9-5-6-10-16(15)26-22)21(31)24-17(19(29)20(23)30)12-14-7-3-2-4-8-14;1-25-17(14-10-6-3-7-11-14)16(23-24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;1-25-17(16(23-24-25)14-10-6-3-7-11-14)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;1-25-23-16(14-10-6-3-7-11-14)17(24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;20-18(26)17(25)15(11-13-7-3-1-4-8-13)22-19(27)16-12-21-23-24(16)14-9-5-2-6-10-14;20-18(26)17(25)14(11-12-7-3-1-4-8-12)21-19(27)16-15(22-24-23-16)13-9-5-2-6-10-13;1-3-4-10-13(15(22)17(19)23)21-18(24)16-14(20-11(2)25-16)12-8-6-5-7-9-12/h2-11,17H,12H2,1H3,(H2,23,30)(H,24,31)(H,25,26);3*2-11,15H,12H2,1H3,(H2,21,27)(H,22,28);1-10,12,15H,11H2,(H2,20,26)(H,22,27);1-10,14H,11H2,(H2,20,26)(H,21,27)(H,22,23,24);5-9,13H,3-4,10H2,1-2H3,(H2,19,23)(H,21,24)
• InChIKey: GWYOORONXPNWHT-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 861.76 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 50
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2618.79
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide?

The IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide (CID 158390974) is N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide.

What is the SMILES notation for N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide?

The canonical SMILES for N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide is CCCCC(NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nc2ccccc2[nH]1.Cn1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1nnc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1nnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnnn1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1n[nH]nc1-c1ccccc1.

What is the InChIKey of N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide?

The InChIKey is GWYOORONXPNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3.3C20H19N5O3.2C19H17N5O3.C18H21N3O4/c1-13-11-18(27-28(13)22-25-15-9-5-6-10-16(15)26-22)21(31)24-17(19(29)20(23)30)12-14-7-3-2-4-8-14;1-25-17(14-10-6-3-7-11-14)16(23-24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;1-25-17(16(23-24-25)14-10-6-3-7-11-14)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;1-25-23-16(14-10-6-3-7-11-14)17(24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;20-18(26)17(25)15(11-13-7-3-1-4-8-13)22-19(27)16-12-21-23-24(16)14-9-5-2-6-10-14;20-18(26)17(25)14(11-12-7-3-1-4-8-12)21-19(27)16-15(22-24-23-16)13-9-5-2-6-10-13;1-3-4-10-13(15(22)17(19)23)21-18(24)16-14(20-11(2)25-16)12-8-6-5-7-9-12/h2-11,17H,12H2,1H3,(H2,23,30)(H,24,31)(H,25,26);3*2-11,15H,12H2,1H3,(H2,21,27)(H,22,28);1-10,12,15H,11H2,(H2,20,26)(H,22,27);1-10,14H,11H2,(H2,20,26)(H,21,27)(H,22,23,24);5-9,13H,3-4,10H2,1-2H3,(H2,19,23)(H,21,24).

What are the key properties of N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide?

N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide has a molecular weight of 2618.79 g/mol, XLogP of 7.61, 50 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 158390974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).