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

C19H32N4O7 — CID 91000341

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

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (PubChem CID 91000341) has the molecular formula C19H32N4O7 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
• PubChem CID: 91000341
• Molecular Formula: C19H32N4O7
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.23
• IUPAC Name: 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
• SMILES: CCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCn1c(O)cc(C)c1O
• InChI: InChI=1S/C19H32N4O7/c1-3-15(24)22-7-9-29-10-11-30-13-17(26)21-6-5-20-16(25)4-8-23-18(27)12-14(2)19(23)28/h12,27-28H,3-11,13H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)
• InChIKey: CSUMCWQBTNXMIX-UHFFFAOYSA-N
• XLogP: -0.61
• TPSA: 151.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	-0.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

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-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

The IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (CID 91000341) is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)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-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

The canonical SMILES for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is CCC(=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-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?

The InChIKey is CSUMCWQBTNXMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O7/c1-3-15(24)22-7-9-29-10-11-30-13-17(26)21-6-5-20-16(25)4-8-23-18(27)12-14(2)19(23)28/h12,27-28H,3-11,13H2,1-2H3,(H,20,25)(H,21,26)(H,22,24).

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

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide has a molecular weight of 428.49 g/mol, XLogP of -0.61, 15 rotatable bonds, 5 hydrogen bond donors, and 8 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-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 91000341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).