N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide

C30H41N5O6 — CID 68889323

About N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide

N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide (PubChem CID 68889323) has the molecular formula C30H41N5O6 and a molecular weight of 567.69 g/mol. Its IUPAC name is N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

• Compound Name: N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
• PubChem CID: 68889323
• Molecular Formula: C30H41N5O6
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.31
• IUPAC Name: N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
• SMILES: CC(=O)C1CNC(C(=O)N2CC(=O)C3C2CCN3C(=O)C(CC(C)C)NC(=O)c2ccc(N3CCOCC3)cc2)C1
• InChI: InChI=1S/C30H41N5O6/c1-18(2)14-24(32-28(38)20-4-6-22(7-5-20)33-10-12-41-13-11-33)30(40)34-9-8-25-27(34)26(37)17-35(25)29(39)23-15-21(16-31-23)19(3)36/h4-7,18,21,23-25,27,31H,8-17H2,1-3H3,(H,32,38)
• InChIKey: GEXFNAYLFPSTFJ-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 128.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

The IUPAC name of N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide (CID 68889323) is N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide.

What is the SMILES notation for N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

The canonical SMILES for N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide is CC(=O)C1CNC(C(=O)N2CC(=O)C3C2CCN3C(=O)C(CC(C)C)NC(=O)c2ccc(N3CCOCC3)cc2)C1.

What is the InChIKey of N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

The InChIKey is GEXFNAYLFPSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O6/c1-18(2)14-24(32-28(38)20-4-6-22(7-5-20)33-10-12-41-13-11-33)30(40)34-9-8-25-27(34)26(37)17-35(25)29(39)23-15-21(16-31-23)19(3)36/h4-7,18,21,23-25,27,31H,8-17H2,1-3H3,(H,32,38).

What are the key properties of N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?

N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 567.69 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(4-acetylpyrrolidine-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 68889323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).