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

C28H40N4O5 — CID 68889385

About 4-(diethylamino)-N-[1-[4-(1-hydroxycyclobutanecarbonyl)-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-hydroxycyclobutanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 68889385) has the molecular formula C28H40N4O5 and a molecular weight of 512.65 g/mol. Its IUPAC name is 4-(diethylamino)-N-[1-[4-(1-hydroxycyclobutanecarbonyl)-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-hydroxycyclobutanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• PubChem CID: 68889385
• Molecular Formula: C28H40N4O5
• Molecular Weight: 512.65 g/mol
• Exact Mass: 512.30
• IUPAC Name: 4-(diethylamino)-N-[1-[4-(1-hydroxycyclobutanecarbonyl)-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)CCC2)cc1
• InChI: InChI=1S/C28H40N4O5/c1-5-30(6-2)20-10-8-19(9-11-20)25(34)29-21(16-18(3)4)26(35)31-15-12-22-24(31)23(33)17-32(22)27(36)28(37)13-7-14-28/h8-11,18,21-22,24,37H,5-7,12-17H2,1-4H3,(H,29,34)
• InChIKey: UIOJMROLWSYRIQ-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.65
LogP ≤ 5	1.97
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-hydroxycyclobutanecarbonyl)-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-hydroxycyclobutanecarbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (CID 68889385) is 4-(diethylamino)-N-[1-[4-(1-hydroxycyclobutanecarbonyl)-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-hydroxycyclobutanecarbonyl)-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-hydroxycyclobutanecarbonyl)-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)CCC2)cc1.

What is the InChIKey of 4-(diethylamino)-N-[1-[4-(1-hydroxycyclobutanecarbonyl)-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 UIOJMROLWSYRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O5/c1-5-30(6-2)20-10-8-19(9-11-20)25(34)29-21(16-18(3)4)26(35)31-15-12-22-24(31)23(33)17-32(22)27(36)28(37)13-7-14-28/h8-11,18,21-22,24,37H,5-7,12-17H2,1-4H3,(H,29,34).

What are the key properties of 4-(diethylamino)-N-[1-[4-(1-hydroxycyclobutanecarbonyl)-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-hydroxycyclobutanecarbonyl)-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 512.65 g/mol, XLogP of 1.97, 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-hydroxycyclobutanecarbonyl)-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 68889385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).