4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide

C34H38N4O5 — CID 68957778

About 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide

4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (PubChem CID 68957778) has the molecular formula C34H38N4O5 and a molecular weight of 582.70 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
• PubChem CID: 68957778
• Molecular Formula: C34H38N4O5
• Molecular Weight: 582.70 g/mol
• Exact Mass: 582.28
• IUPAC Name: 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
• SMILES: CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C34H38N4O5/c1-22(2)20-28(35-32(40)23-10-14-25(15-11-23)36(3)4)34(42)37-19-18-29-31(37)30(39)21-38(29)33(41)24-12-16-27(17-13-24)43-26-8-6-5-7-9-26/h5-17,22,28-29,31H,18-21H2,1-4H3,(H,35,40)
• InChIKey: YDNOJTPDHRKSJX-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.70
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (CID 68957778) is 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Oc2ccccc2)cc1.

What is the InChIKey of 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The InChIKey is YDNOJTPDHRKSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O5/c1-22(2)20-28(35-32(40)23-10-14-25(15-11-23)36(3)4)34(42)37-19-18-29-31(37)30(39)21-38(29)33(41)24-12-16-27(17-13-24)43-26-8-6-5-7-9-26/h5-17,22,28-29,31H,18-21H2,1-4H3,(H,35,40).

What are the key properties of 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide has a molecular weight of 582.70 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[4-methyl-1-oxo-1-[6-oxo-4-(4-phenoxybenzoyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 68957778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).