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

C29H42N4O5 — CID 68889698

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

4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 68889698) has the molecular formula C29H42N4O5 and a molecular weight of 526.68 g/mol. Its IUPAC name is 4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-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-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• PubChem CID: 68889698
• Molecular Formula: C29H42N4O5
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.32
• IUPAC Name: 4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• SMILES: CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)C2(O)CCCC2)cc1
• InChI: InChI=1S/C29H42N4O5/c1-5-31(6-2)21-11-9-20(10-12-21)26(35)30-22(17-19(3)4)27(36)32-16-13-23-25(32)24(34)18-33(23)28(37)29(38)14-7-8-15-29/h9-12,19,22-23,25,38H,5-8,13-18H2,1-4H3,(H,30,35)
• InChIKey: ALWMVUCISNVYBE-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-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-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (CID 68889698) is 4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-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-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-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-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)C2(O)CCCC2)cc1.

What is the InChIKey of 4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-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 ALWMVUCISNVYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O5/c1-5-31(6-2)21-11-9-20(10-12-21)26(35)30-22(17-19(3)4)27(36)32-16-13-23-25(32)24(34)18-33(23)28(37)29(38)14-7-8-15-29/h9-12,19,22-23,25,38H,5-8,13-18H2,1-4H3,(H,30,35).

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

4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-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 526.68 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylamino)-N-[1-[4-(1-hydroxycyclopentanecarbonyl)-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 68889698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).