3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide

C19H32N4O8 — CID 91245585

About 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (PubChem CID 91245585) has the molecular formula C19H32N4O8 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
• PubChem CID: 91245585
• Molecular Formula: C19H32N4O8
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.22
• IUPAC Name: 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
• SMILES: COCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCn1c(O)cc(C)c1O
• InChI: InChI=1S/C19H32N4O8/c1-14-11-18(27)23(19(14)28)7-3-15(24)20-4-5-21-17(26)13-31-10-9-30-8-6-22-16(25)12-29-2/h11,27-28H,3-10,12-13H2,1-2H3,(H,20,24)(H,21,26)(H,22,25)
• InChIKey: HPWIDONIBUXLFN-UHFFFAOYSA-N
• XLogP: -1.37
• TPSA: 160.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

The IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (CID 91245585) is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide.

What is the SMILES notation for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

The canonical SMILES for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is COCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCn1c(O)cc(C)c1O.

What is the InChIKey of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

The InChIKey is HPWIDONIBUXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O8/c1-14-11-18(27)23(19(14)28)7-3-15(24)20-4-5-21-17(26)13-31-10-9-30-8-6-22-16(25)12-29-2/h11,27-28H,3-10,12-13H2,1-2H3,(H,20,24)(H,21,26)(H,22,25).

What are the key properties of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide has a molecular weight of 444.49 g/mol, XLogP of -1.37, 16 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 91245585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).