3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide

C32H46N4O9 — CID 144515009

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide
SMILESCC(COC(C)(C)C1(C)OC1C(C)(C)NC(=O)CCN1C(=O)C=CC1=O)C1OC1CC(C)(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C32H46N4O9/c1-19(27-20(44-27)17-29(2,3)33-21(37)13-15-35-23(39)9-10-24(35)40)18-43-31(6,7)32(8)28(45-32)30(4,5)34-22(38)14-16-36-25(41)11-12-26(36)42/h9-12,19-20,27-28H,13-18H2,1-8H3,(H,33,37)(H,34,38)
InChIKeyLMZXIUKHGDEVGS-UHFFFAOYSA-N
MW630.74 g/mol
LogP1.15
Rot. Bonds16

About 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide (PubChem CID 144515009) has the molecular formula C32H46N4O9 and a molecular weight of 630.74 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide
PubChem CID144515009
Molecular FormulaC32H46N4O9
Molecular Weight630.74 g/mol
Exact Mass630.33
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide
SMILESCC(COC(C)(C)C1(C)OC1C(C)(C)NC(=O)CCN1C(=O)C=CC1=O)C1OC1CC(C)(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C32H46N4O9/c1-19(27-20(44-27)17-29(2,3)33-21(37)13-15-35-23(39)9-10-24(35)40)18-43-31(6,7)32(8)28(45-32)30(4,5)34-22(38)14-16-36-25(41)11-12-26(36)42/h9-12,19-20,27-28H,13-18H2,1-8H3,(H,33,37)(H,34,38)
InChIKeyLMZXIUKHGDEVGS-UHFFFAOYSA-N
XLogP1.15
TPSA167.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.74
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide (CID 144515009) is 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide is CC(COC(C)(C)C1(C)OC1C(C)(C)NC(=O)CCN1C(=O)C=CC1=O)C1OC1CC(C)(C)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide?
The InChIKey is LMZXIUKHGDEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O9/c1-19(27-20(44-27)17-29(2,3)33-21(37)13-15-35-23(39)9-10-24(35)40)18-43-31(6,7)32(8)28(45-32)30(4,5)34-22(38)14-16-36-25(41)11-12-26(36)42/h9-12,19-20,27-28H,13-18H2,1-8H3,(H,33,37)(H,34,38).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide has a molecular weight of 630.74 g/mol, XLogP of 1.15, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[1-[3-[1-[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propan-2-yl]-2-methyloxiran-2-yl]propan-2-yloxy]propan-2-yl]oxiran-2-yl]-2-methylpropan-2-yl]propanamide is sourced from PubChem (CID 144515009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).