3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

C18H32N4O8 — CID 90891251

About 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 90891251) has the molecular formula C18H32N4O8 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 90891251
• Molecular Formula: C18H32N4O8
• Molecular Weight: 432.47 g/mol
• Exact Mass: 432.22
• IUPAC Name: 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
• SMILES: NNC(=O)CCOCCOCCOCCOCCNC(=O)CCn1c(O)ccc1O
• InChI: InChI=1S/C18H32N4O8/c19-21-16(24)4-7-27-9-11-29-13-14-30-12-10-28-8-5-20-15(23)3-6-22-17(25)1-2-18(22)26/h1-2,25-26H,3-14,19H2,(H,20,23)(H,21,24)
• InChIKey: OQYRFEPHTSOSBL-UHFFFAOYSA-N
• XLogP: -1.15
• TPSA: 166.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.47
LogP ≤ 5	-1.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

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-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 90891251) is 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is NNC(=O)CCOCCOCCOCCOCCNC(=O)CCn1c(O)ccc1O.

What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is OQYRFEPHTSOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O8/c19-21-16(24)4-7-27-9-11-29-13-14-30-12-10-28-8-5-20-15(23)3-6-22-17(25)1-2-18(22)26/h1-2,25-26H,3-14,19H2,(H,20,23)(H,21,24).

What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 432.47 g/mol, XLogP of -1.15, 18 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 90891251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).