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

C17H20N4O7 — CID 19108184

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
SMILESCC(C(=O)NCC(O)CNC(=O)C(C)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C17H20N4O7/c1-9(20-12(23)3-4-13(20)24)16(27)18-7-11(22)8-19-17(28)10(2)21-14(25)5-6-15(21)26/h3-6,9-11,22H,7-8H2,1-2H3,(H,18,27)(H,19,28)
InChIKeyQBSQAOPONHBZJK-UHFFFAOYSA-N
MW392.37 g/mol
LogP-2.79
Rot. Bonds8

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

2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide (PubChem CID 19108184) has the molecular formula C17H20N4O7 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
PubChem CID19108184
Molecular FormulaC17H20N4O7
Molecular Weight392.37 g/mol
Exact Mass392.13
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
SMILESCC(C(=O)NCC(O)CNC(=O)C(C)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C17H20N4O7/c1-9(20-12(23)3-4-13(20)24)16(27)18-7-11(22)8-19-17(28)10(2)21-14(25)5-6-15(21)26/h3-6,9-11,22H,7-8H2,1-2H3,(H,18,27)(H,19,28)
InChIKeyQBSQAOPONHBZJK-UHFFFAOYSA-N
XLogP-2.79
TPSA153.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 5-2.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide (CID 19108184) is 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide is CC(C(=O)NCC(O)CNC(=O)C(C)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
The InChIKey is QBSQAOPONHBZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O7/c1-9(20-12(23)3-4-13(20)24)16(27)18-7-11(22)8-19-17(28)10(2)21-14(25)5-6-15(21)26/h3-6,9-11,22H,7-8H2,1-2H3,(H,18,27)(H,19,28).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide has a molecular weight of 392.37 g/mol, XLogP of -2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide is sourced from PubChem (CID 19108184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).