1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione

C32H63N3O6 — CID 158564297

IUPAC1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)NCCN1C(=O)C=CC1=O.CC(C)(C)O.CC(C)(C)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O2.C8H13NO3.2C5H12.C4H10O/c1-10(2,3)11-6-7-12-8(13)4-5-9(12)14;1-8(2,3)12-9-6(10)4-5-7(9)11;2*1-5(2,3)4;1-4(2,3)5/h4-5,11H,6-7H2,1-3H3;4-5H2,1-3H3;2*1-4H3;5H,1-3H3
InChIKeyHRGXZNKKFNLLCA-UHFFFAOYSA-N
MW585.87 g/mol
LogP6.05
Rot. Bonds4

About 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione

1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione (PubChem CID 158564297) has the molecular formula C32H63N3O6 and a molecular weight of 585.87 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
PubChem CID158564297
Molecular FormulaC32H63N3O6
Molecular Weight585.87 g/mol
Exact Mass585.47
IUPAC Name1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)NCCN1C(=O)C=CC1=O.CC(C)(C)O.CC(C)(C)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O2.C8H13NO3.2C5H12.C4H10O/c1-10(2,3)11-6-7-12-8(13)4-5-9(12)14;1-8(2,3)12-9-6(10)4-5-7(9)11;2*1-5(2,3)4;1-4(2,3)5/h4-5,11H,6-7H2,1-3H3;4-5H2,1-3H3;2*1-4H3;5H,1-3H3
InChIKeyHRGXZNKKFNLLCA-UHFFFAOYSA-N
XLogP6.05
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.87
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
CID 126595986
1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
CID 160926267
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate
CID 134213114
1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione
CID 158008507
tert-butyl N-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate
CID 157320112
(2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate
CID 162756571
tert-butyl N-[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutyl]carbamate
CID 154932340
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-sulfanylbutanoate
CID 130281915
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[3-(2,5-dioxopyrrol-1-yl)-1-hydroxypropyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate
CID 162756028
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170899516
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione (CID 158564297) is 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione is CC(C)(C)C.CC(C)(C)C.CC(C)(C)NCCN1C(=O)C=CC1=O.CC(C)(C)O.CC(C)(C)ON1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
The InChIKey is HRGXZNKKFNLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.C8H13NO3.2C5H12.C4H10O/c1-10(2,3)11-6-7-12-8(13)4-5-9(12)14;1-8(2,3)12-9-6(10)4-5-7(9)11;2*1-5(2,3)4;1-4(2,3)5/h4-5,11H,6-7H2,1-3H3;4-5H2,1-3H3;2*1-4H3;5H,1-3H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione has a molecular weight of 585.87 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 158564297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).