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

C17H20N4O7 — CID 3082722

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCC(O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H20N4O7/c22-11(9-18-12(23)5-7-20-14(25)1-2-15(20)26)10-19-13(24)6-8-21-16(27)3-4-17(21)28/h1-4,11,22H,5-10H2,(H,18,23)(H,19,24)
InChIKeyIAFNXCHKPVIFPF-UHFFFAOYSA-N
MW392.37 g/mol
LogP-2.79
Rot. Bonds10

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

3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide (PubChem CID 3082722) has the molecular formula C17H20N4O7 and a molecular weight of 392.37 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
PubChem CID3082722
Molecular FormulaC17H20N4O7
Molecular Weight392.37 g/mol
Exact Mass392.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCC(O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H20N4O7/c22-11(9-18-12(23)5-7-20-14(25)1-2-15(20)26)10-19-13(24)6-8-21-16(27)3-4-17(21)28/h1-4,11,22H,5-10H2,(H,18,23)(H,19,24)
InChIKeyIAFNXCHKPVIFPF-UHFFFAOYSA-N
XLogP-2.79
TPSA153.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide (CID 3082722) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCC(O)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
The InChIKey is IAFNXCHKPVIFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O7/c22-11(9-18-12(23)5-7-20-14(25)1-2-15(20)26)10-19-13(24)6-8-21-16(27)3-4-17(21)28/h1-4,11,22H,5-10H2,(H,18,23)(H,19,24).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide has a molecular weight of 392.37 g/mol, XLogP of -2.79, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide is sourced from PubChem (CID 3082722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).