3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide

C23H32N4O11 — CID 59628082

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide (PubChem CID 59628082) has the molecular formula C23H32N4O11 and a molecular weight of 540.53 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide
• PubChem CID: 59628082
• Molecular Formula: C23H32N4O11
• Molecular Weight: 540.53 g/mol
• Exact Mass: 540.21
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide
• SMILES: O=C(CCN1C(=O)C=CC1=O)NCC(O)COCC(O)COCC(O)CNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C23H32N4O11/c28-15(9-24-18(31)5-7-26-20(33)1-2-21(26)34)11-37-13-17(30)14-38-12-16(29)10-25-19(32)6-8-27-22(35)3-4-23(27)36/h1-4,15-17,28-30H,5-14H2,(H,24,31)(H,25,32)
• InChIKey: VMIOYZSAMFXNEQ-UHFFFAOYSA-N
• XLogP: -4.04
• TPSA: 212.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.53
LogP ≤ 5	-4.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide (CID 59628082) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCC(O)COCC(O)COCC(O)CNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide?

The InChIKey is VMIOYZSAMFXNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O11/c28-15(9-24-18(31)5-7-26-20(33)1-2-21(26)34)11-37-13-17(30)14-38-12-16(29)10-25-19(32)6-8-27-22(35)3-4-23(27)36/h1-4,15-17,28-30H,5-14H2,(H,24,31)(H,25,32).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide?

3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide has a molecular weight of 540.53 g/mol, XLogP of -4.04, 18 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide is sourced from PubChem (CID 59628082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).