1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione

C17H24N4O4 — CID 23397602

IUPAC1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione
SMILESCC(C)NCCN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H24N4O4/c1-13(2)18-7-8-19(9-11-20-14(22)3-4-15(20)23)10-12-21-16(24)5-6-17(21)25/h3-6,13,18H,7-12H2,1-2H3
InChIKeyZOXSZRSYWMYCEE-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.86
Rot. Bonds10

About 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione (PubChem CID 23397602) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione
PubChem CID23397602
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione
SMILESCC(C)NCCN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H24N4O4/c1-13(2)18-7-8-19(9-11-20-14(22)3-4-15(20)23)10-12-21-16(24)5-6-17(21)25/h3-6,13,18H,7-12H2,1-2H3
InChIKeyZOXSZRSYWMYCEE-UHFFFAOYSA-N
XLogP-0.86
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]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

Related Compounds

N,n',n'',n'''-tetraacryloyltriethylenetetramine
CID 9863796
1-[3-[2-(2-Aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione
CID 91552481
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679
(E)-N',N'-bis(2-aminoacetyl)-N,N-diethylbut-2-enediamide
CID 18959792
N-ethylethanamine;1-ethylpyrrole-2,5-dione
CID 19877873
1-(2-(Methylamino)ethyl)-1H-pyrrole-2,5-dione
CID 20612839
1-[2-[3-(Methylamino)propylamino]ethyl]pyrrole-2,5-dione
CID 20666018
N-[2-(2-aminoethylamino)ethyl]-N-[2-[2-(propan-2-ylamino)ethyl-prop-2-enoylamino]ethyl]prop-2-enamide
CID 21131065
Tris[2-(2,5-dioxopyrrol-1-yl)ethyl]azanium acetate
CID 22717611
N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 23557841
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 43402672
2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide
CID 43567918

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione (CID 23397602) is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione is CC(C)NCCN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione?
The InChIKey is ZOXSZRSYWMYCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-13(2)18-7-8-19(9-11-20-14(22)3-4-15(20)23)10-12-21-16(24)5-6-17(21)25/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione?
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione has a molecular weight of 348.40 g/mol, XLogP of -0.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 23397602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).