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

C24H33N5O4 — CID 68888993

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

4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (PubChem CID 68888993) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
• PubChem CID: 68888993
• Molecular Formula: C24H33N5O4
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.25
• IUPAC Name: 4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-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)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)N1CCCC1
• InChI: InChI=1S/C24H33N5O4/c1-15(2)13-18(26-22(31)16-5-7-17(25)8-6-16)23(32)28-12-9-19-21(28)20(30)14-29(19)24(33)27-10-3-4-11-27/h5-8,15,18-19,21H,3-4,9-14,25H2,1-2H3,(H,26,31)
• InChIKey: SYBYWRDVKUUQPZ-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 116.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (CID 68888993) is 4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

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

The canonical SMILES for 4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-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)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)N1CCCC1.

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

The InChIKey is SYBYWRDVKUUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-15(2)13-18(26-22(31)16-5-7-17(25)8-6-16)23(32)28-12-9-19-21(28)20(30)14-29(19)24(33)27-10-3-4-11-27/h5-8,15,18-19,21H,3-4,9-14,25H2,1-2H3,(H,26,31).

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

4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[4-methyl-1-oxo-1-[6-oxo-4-(pyrrolidine-1-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 68888993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).