1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione

C17H24N4O5 — CID 19438623

IUPAC1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCNCC(O)CNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H24N4O5/c22-13(11-18-7-1-9-20-14(23)3-4-15(20)24)12-19-8-2-10-21-16(25)5-6-17(21)26/h3-6,13,18-19,22H,1-2,7-12H2
InChIKeyCOVIBJVVTWSRPE-UHFFFAOYSA-N
MW364.40 g/mol
LogP-1.84
Rot. Bonds12

About 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione

1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione (PubChem CID 19438623) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione
PubChem CID19438623
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCNCC(O)CNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H24N4O5/c22-13(11-18-7-1-9-20-14(23)3-4-15(20)24)12-19-8-2-10-21-16(25)5-6-17(21)26/h3-6,13,18-19,22H,1-2,7-12H2
InChIKeyCOVIBJVVTWSRPE-UHFFFAOYSA-N
XLogP-1.84
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione 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 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione (CID 19438623) is 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCNCC(O)CNCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione?
The InChIKey is COVIBJVVTWSRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c22-13(11-18-7-1-9-20-14(23)3-4-15(20)24)12-19-8-2-10-21-16(25)5-6-17(21)26/h3-6,13,18-19,22H,1-2,7-12H2.
What are the key properties of 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione?
1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione has a molecular weight of 364.40 g/mol, XLogP of -1.84, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-[3-(2,5-dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 19438623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).