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

C21H24N4O6 — CID 176969051

IUPAC1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)N(CN1C(=O)C=CC1=O)C(C)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C21H24N4O6/c1-13(11-22-15(26)5-6-16(22)27)23(12-24-17(28)7-8-18(24)29)14(2)21(3,4)25-19(30)9-10-20(25)31/h5-10,13-14H,11-12H2,1-4H3
InChIKeyCKXSJFORFGGULY-UHFFFAOYSA-N
MW428.45 g/mol
LogP-0.42
Rot. Bonds8

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

1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione (PubChem CID 176969051) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione
PubChem CID176969051
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)N(CN1C(=O)C=CC1=O)C(C)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C21H24N4O6/c1-13(11-22-15(26)5-6-16(22)27)23(12-24-17(28)7-8-18(24)29)14(2)21(3,4)25-19(30)9-10-20(25)31/h5-10,13-14H,11-12H2,1-4H3
InChIKeyCKXSJFORFGGULY-UHFFFAOYSA-N
XLogP-0.42
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione with MolForge

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Related Compounds

1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione
CID 121483270
1-(2-methyl-3-methylsulfanylpropyl)pyrrole-2,5-dione
CID 63964997
1-(2,4-dimethylpentan-2-yl)pyrrole-2,5-dione
CID 123254640
1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
CID 177094546
1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione
CID 43198810
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
1-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686
1-[(3S)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 139814524
1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
CID 177002738
1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione
CID 130234844
tert-butyl 2-amino-3-(2,5-dioxopyrrol-1-yl)propanoate
CID 90457852
3-(2,5-dioxopyrrol-1-yl)-2-methylpropane-1-sulfonic acid
CID 118901333

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione (CID 176969051) is 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione is CC(CN1C(=O)C=CC1=O)N(CN1C(=O)C=CC1=O)C(C)C(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione?
The InChIKey is CKXSJFORFGGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6/c1-13(11-22-15(26)5-6-16(22)27)23(12-24-17(28)7-8-18(24)29)14(2)21(3,4)25-19(30)9-10-20(25)31/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione?
1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione has a molecular weight of 428.45 g/mol, XLogP of -0.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 176969051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).