3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide

C19H34N4O8 — CID 91142434

About 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide

3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide (PubChem CID 91142434) has the molecular formula C19H34N4O8 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
• PubChem CID: 91142434
• Molecular Formula: C19H34N4O8
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.24
• IUPAC Name: 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
• SMILES: NNC(=O)CCOCCOCCOCCOCCNCC(=O)CCn1c(O)ccc1O
• InChI: InChI=1S/C19H34N4O8/c20-22-17(25)4-7-28-9-11-30-13-14-31-12-10-29-8-5-21-15-16(24)3-6-23-18(26)1-2-19(23)27/h1-2,21,26-27H,3-15,20H2,(H,22,25)
• InChIKey: XFPIQALGUDUILH-UHFFFAOYSA-N
• XLogP: -1.11
• TPSA: 166.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	-1.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide?

The IUPAC name of 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide (CID 91142434) is 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide.

What is the SMILES notation for 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide?

The canonical SMILES for 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide is NNC(=O)CCOCCOCCOCCOCCNCC(=O)CCn1c(O)ccc1O.

What is the InChIKey of 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide?

The InChIKey is XFPIQALGUDUILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O8/c20-22-17(25)4-7-28-9-11-30-13-14-31-12-10-29-8-5-21-15-16(24)3-6-23-18(26)1-2-19(23)27/h1-2,21,26-27H,3-15,20H2,(H,22,25).

What are the key properties of 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide?

3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide has a molecular weight of 446.50 g/mol, XLogP of -1.11, 20 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[[4-(2,5-dihydroxypyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide is sourced from PubChem (CID 91142434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).