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

C20H34N4O8 — CID 90947988

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

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (PubChem CID 90947988) has the molecular formula C20H34N4O8 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)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-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
• PubChem CID: 90947988
• Molecular Formula: C20H34N4O8
• Molecular Weight: 458.51 g/mol
• Exact Mass: 458.24
• IUPAC Name: 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
• SMILES: CCOCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCn1c(O)cc(C)c1O
• InChI: InChI=1S/C20H34N4O8/c1-3-30-13-17(26)23-7-9-31-10-11-32-14-18(27)22-6-5-21-16(25)4-8-24-19(28)12-15(2)20(24)29/h12,28-29H,3-11,13-14H2,1-2H3,(H,21,25)(H,22,27)(H,23,26)
• InChIKey: VIDSVSSAWFIITQ-UHFFFAOYSA-N
• XLogP: -0.98
• TPSA: 160.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.51
LogP ≤ 5	-0.98
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-ethoxyacetyl)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-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (CID 90947988) is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)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-ethoxyacetyl)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-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is CCOCC(=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-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

The InChIKey is VIDSVSSAWFIITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O8/c1-3-30-13-17(26)23-7-9-31-10-11-32-14-18(27)22-6-5-21-16(25)4-8-24-19(28)12-15(2)20(24)29/h12,28-29H,3-11,13-14H2,1-2H3,(H,21,25)(H,22,27)(H,23,26).

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

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide has a molecular weight of 458.51 g/mol, XLogP of -0.98, 17 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-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 90947988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).