N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide

C134H155F3N12O25 — CID 159683237

About N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide

N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide (PubChem CID 159683237) has the molecular formula C134H155F3N12O25 and a molecular weight of 2390.77 g/mol. Its IUPAC name is N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide.

Molecular Properties

• Compound Name: N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide
• PubChem CID: 159683237
• Molecular Formula: C134H155F3N12O25
• Molecular Weight: 2390.77 g/mol
• Exact Mass: 2389.12
• IUPAC Name: N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide
• SMILES: CC(NC(=O)C1=CC=CC(=O)C1)C(=O)CC(Cc1ccccc1)C(=O)C1(C)CC1.COc1ccc(CC(CC(=O)C(C)(O)C(F)(F)F)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)Cn2ccnn2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(NC(=O)c2cccc(=O)[nH]2)C(=O)NC(CC2=CCCC2)C(=O)C2(C)CC2)cc1.COc1ccc(CC(NC(=O)c2cccc(=O)[nH]2)C(=O)NC(CC2CCCC2)C(=O)C2(C)CC2)cc1
• InChI: InChI=1S/C28H35N3O5.C28H33N3O5.C27H30F3NO6.C27H30N4O5.C24H27NO4/c2*1-28(14-15-28)25(33)22(16-18-6-3-4-7-18)30-27(35)23(17-19-10-12-20(36-2)13-11-19)31-26(34)21-8-5-9-24(32)29-21;1-25(16-37-25)23(33)21(14-17-7-5-4-6-8-17)31-24(34)19(13-18-9-11-20(36-3)12-10-18)15-22(32)26(2,35)27(28,29)30;1-27(18-36-27)25(33)24(15-19-6-4-3-5-7-19)29-26(34)21(14-20-8-10-23(35-2)11-9-20)16-22(32)17-31-13-12-28-30-31;1-16(25-23(29)18-9-6-10-20(26)14-18)21(27)15-19(22(28)24(2)11-12-24)13-17-7-4-3-5-8-17/h5,8-13,18,22-23H,3-4,6-7,14-17H2,1-2H3,(H,29,32)(H,30,35)(H,31,34);5-6,8-13,22-23H,3-4,7,14-17H2,1-2H3,(H,29,32)(H,30,35)(H,31,34);4-12,19,21,35H,13-16H2,1-3H3,(H,31,34);3-13,21,24H,14-18H2,1-2H3,(H,29,34);3-10,16,19H,11-15H2,1-2H3,(H,25,29)
• InChIKey: MVLRKUNEYVYBLJ-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 535.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 56
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2390.77
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

The IUPAC name of N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide (CID 159683237) is N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide.

What is the SMILES notation for N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

The canonical SMILES for N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide is CC(NC(=O)C1=CC=CC(=O)C1)C(=O)CC(Cc1ccccc1)C(=O)C1(C)CC1.COc1ccc(CC(CC(=O)C(C)(O)C(F)(F)F)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)Cn2ccnn2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(NC(=O)c2cccc(=O)[nH]2)C(=O)NC(CC2=CCCC2)C(=O)C2(C)CC2)cc1.COc1ccc(CC(NC(=O)c2cccc(=O)[nH]2)C(=O)NC(CC2CCCC2)C(=O)C2(C)CC2)cc1.

What is the InChIKey of N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

The InChIKey is MVLRKUNEYVYBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5.C28H33N3O5.C27H30F3NO6.C27H30N4O5.C24H27NO4/c2*1-28(14-15-28)25(33)22(16-18-6-3-4-7-18)30-27(35)23(17-19-10-12-20(36-2)13-11-19)31-26(34)21-8-5-9-24(32)29-21;1-25(16-37-25)23(33)21(14-17-7-5-4-6-8-17)31-24(34)19(13-18-9-11-20(36-3)12-10-18)15-22(32)26(2,35)27(28,29)30;1-27(18-36-27)25(33)24(15-19-6-4-3-5-7-19)29-26(34)21(14-20-8-10-23(35-2)11-9-20)16-22(32)17-31-13-12-28-30-31;1-16(25-23(29)18-9-6-10-20(26)14-18)21(27)15-19(22(28)24(2)11-12-24)13-17-7-4-3-5-8-17/h5,8-13,18,22-23H,3-4,6-7,14-17H2,1-2H3,(H,29,32)(H,30,35)(H,31,34);5-6,8-13,22-23H,3-4,7,14-17H2,1-2H3,(H,29,32)(H,30,35)(H,31,34);4-12,19,21,35H,13-16H2,1-3H3,(H,31,34);3-13,21,24H,14-18H2,1-2H3,(H,29,34);3-10,16,19H,11-15H2,1-2H3,(H,25,29).

What are the key properties of N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide?

N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide has a molecular weight of 2390.77 g/mol, XLogP of 14.77, 56 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-benzyl-6-(1-methylcyclopropyl)-3,6-dioxohexan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-[[3-(cyclopenten-1-yl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;N-[1-[[3-cyclopentyl-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide;6,6,6-trifluoro-5-hydroxy-2-[(4-methoxyphenyl)methyl]-5-methyl-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-oxohexanamide is sourced from PubChem (CID 159683237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).