1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane

C21H36N2O4 — CID 164585932

IUPAC1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
SMILESCC.CC(C)C1CC(=O)N(CCCCN2C(=O)CC(C(C)(C)C)C2=O)C1=O
InChIInChI=1S/C19H30N2O4.C2H6/c1-12(2)13-10-15(22)20(17(13)24)8-6-7-9-21-16(23)11-14(18(21)25)19(3,4)5;1-2/h12-14H,6-11H2,1-5H3;1-2H3
InChIKeyPGBCOWQWHDCOJK-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.25
Rot. Bonds6

About 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane

1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane (PubChem CID 164585932) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
PubChem CID164585932
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Name1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
SMILESCC.CC(C)C1CC(=O)N(CCCCN2C(=O)CC(C(C)(C)C)C2=O)C1=O
InChIInChI=1S/C19H30N2O4.C2H6/c1-12(2)13-10-15(22)20(17(13)24)8-6-7-9-21-16(23)11-14(18(21)25)19(3,4)5;1-2/h12-14H,6-11H2,1-5H3;1-2H3
InChIKeyPGBCOWQWHDCOJK-UHFFFAOYSA-N
XLogP3.25
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
1-[(6R)-7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 130232703
6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide
CID 171833915
6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2-propan-2-ylhexanal
CID 140661114
ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 170724271
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
CID 58051575
3-tert-butyl-1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrolidine-2,5-dione
CID 134403475
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2,2-dimethylpropanoyl(methyl)amino]ethyl]-N-methylhexanamide
CID 176877362

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane?
The IUPAC name of 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane (CID 164585932) is 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane.
What is the SMILES notation for 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane?
The canonical SMILES for 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane is CC.CC(C)C1CC(=O)N(CCCCN2C(=O)CC(C(C)(C)C)C2=O)C1=O.
What is the InChIKey of 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane?
The InChIKey is PGBCOWQWHDCOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.C2H6/c1-12(2)13-10-15(22)20(17(13)24)8-6-7-9-21-16(23)11-14(18(21)25)19(3,4)5;1-2/h12-14H,6-11H2,1-5H3;1-2H3.
What are the key properties of 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane?
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane has a molecular weight of 380.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 164585932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).