2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide

C32H46N4O4 — CID 123317276

About 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide

2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide (PubChem CID 123317276) has the molecular formula C32H46N4O4 and a molecular weight of 550.74 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide
• PubChem CID: 123317276
• Molecular Formula: C32H46N4O4
• Molecular Weight: 550.74 g/mol
• Exact Mass: 550.35
• IUPAC Name: 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide
• SMILES: CC(C)(C)C(NC(=O)C(C1CCCCC1)C1CCC1CC(=O)c1cnccn1)C(=O)N1CC2CCCC2C1C=O
• InChI: InChI=1S/C32H46N4O4/c1-32(2,3)29(31(40)36-18-22-10-7-11-23(22)26(36)19-37)35-30(39)28(20-8-5-4-6-9-20)24-13-12-21(24)16-27(38)25-17-33-14-15-34-25/h14-15,17,19-24,26,28-29H,4-13,16,18H2,1-3H3,(H,35,39)
• InChIKey: TVBPJXPYUDPJLL-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 109.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.74
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide?

The IUPAC name of 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide (CID 123317276) is 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide.

What is the SMILES notation for 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide?

The canonical SMILES for 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide is CC(C)(C)C(NC(=O)C(C1CCCCC1)C1CCC1CC(=O)c1cnccn1)C(=O)N1CC2CCCC2C1C=O.

What is the InChIKey of 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide?

The InChIKey is TVBPJXPYUDPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O4/c1-32(2,3)29(31(40)36-18-22-10-7-11-23(22)26(36)19-37)35-30(39)28(20-8-5-4-6-9-20)24-13-12-21(24)16-27(38)25-17-33-14-15-34-25/h14-15,17,19-24,26,28-29H,4-13,16,18H2,1-3H3,(H,35,39).

What are the key properties of 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide?

2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide has a molecular weight of 550.74 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[1-(3-formyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(2-oxo-2-pyrazin-2-ylethyl)cyclobutyl]acetamide is sourced from PubChem (CID 123317276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).