N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide

C36H39N3O4 — CID 68966156

About N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide

N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide (PubChem CID 68966156) has the molecular formula C36H39N3O4 and a molecular weight of 577.73 g/mol. Its IUPAC name is N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide
• PubChem CID: 68966156
• Molecular Formula: C36H39N3O4
• Molecular Weight: 577.73 g/mol
• Exact Mass: 577.29
• IUPAC Name: N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide
• SMILES: O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H39N3O4/c40-31-24-39(35(42)28-19-11-4-12-20-28)30-21-22-38(33(30)31)36(43)29(23-25-13-5-1-6-14-25)37-34(41)32(26-15-7-2-8-16-26)27-17-9-3-10-18-27/h2-4,7-12,15-20,25,29-30,32-33H,1,5-6,13-14,21-24H2,(H,37,41)
• InChIKey: YVUOMTCIZARCLS-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.73
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide?

The IUPAC name of N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide (CID 68966156) is N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide.

What is the SMILES notation for N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide?

The canonical SMILES for N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide is O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide?

The InChIKey is YVUOMTCIZARCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3O4/c40-31-24-39(35(42)28-19-11-4-12-20-28)30-21-22-38(33(30)31)36(43)29(23-25-13-5-1-6-14-25)37-34(41)32(26-15-7-2-8-16-26)27-17-9-3-10-18-27/h2-4,7-12,15-20,25,29-30,32-33H,1,5-6,13-14,21-24H2,(H,37,41).

What are the key properties of N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide?

N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide has a molecular weight of 577.73 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 68966156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).