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

C26H32N4O5 — CID 68887945

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

4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 68887945) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• PubChem CID: 68887945
• Molecular Formula: C26H32N4O5
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.24
• IUPAC Name: 4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• SMILES: CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccco1
• InChI: InChI=1S/C26H32N4O5/c1-16(2)14-19(27-24(32)17-7-9-18(10-8-17)28(3)4)25(33)29-12-11-20-23(29)21(31)15-30(20)26(34)22-6-5-13-35-22/h5-10,13,16,19-20,23H,11-12,14-15H2,1-4H3,(H,27,32)
• InChIKey: BYKZUKFSQLDVCO-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 103.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (CID 68887945) is 4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

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

The canonical SMILES for 4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccco1.

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

The InChIKey is BYKZUKFSQLDVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-16(2)14-19(27-24(32)17-7-9-18(10-8-17)28(3)4)25(33)29-12-11-20-23(29)21(31)15-30(20)26(34)22-6-5-13-35-22/h5-10,13,16,19-20,23H,11-12,14-15H2,1-4H3,(H,27,32).

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

4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 480.57 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[1-[4-(furan-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 68887945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).