3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide

C19H31N3O5 — CID 158497597

About 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide

3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide (PubChem CID 158497597) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide.

Molecular Properties

• Compound Name: 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide
• PubChem CID: 158497597
• Molecular Formula: C19H31N3O5
• Molecular Weight: 381.47 g/mol
• Exact Mass: 381.23
• IUPAC Name: 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide
• SMILES: CCCC(C)CNNC(=O)CCOCCCC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C19H31N3O5/c1-3-5-15(2)14-20-21-17(24)10-13-27-12-4-6-16(23)9-11-22-18(25)7-8-19(22)26/h7-8,15,20H,3-6,9-14H2,1-2H3,(H,21,24)
• InChIKey: AXCOCKNANMAOTH-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.47
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide?

The IUPAC name of 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide (CID 158497597) is 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide.

What is the SMILES notation for 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide?

The canonical SMILES for 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide is CCCC(C)CNNC(=O)CCOCCCC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide?

The InChIKey is AXCOCKNANMAOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-3-5-15(2)14-20-21-17(24)10-13-27-12-4-6-16(23)9-11-22-18(25)7-8-19(22)26/h7-8,15,20H,3-6,9-14H2,1-2H3,(H,21,24).

What are the key properties of 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide?

3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide has a molecular weight of 381.47 g/mol, XLogP of 1.11, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]-N'-(2-methylpentyl)propanehydrazide is sourced from PubChem (CID 158497597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).