3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione

C17H23NO2 — CID 134410037

IUPAC3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESCCC1CC(=O)N(c2ccc(C(C)(C)CC)cc2)C1=O
InChIInChI=1S/C17H23NO2/c1-5-12-11-15(19)18(16(12)20)14-9-7-13(8-10-14)17(3,4)6-2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyBAAHNCCKWGRMET-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.66
Rot. Bonds4

About 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione

3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione (PubChem CID 134410037) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione
PubChem CID134410037
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESCCC1CC(=O)N(c2ccc(C(C)(C)CC)cc2)C1=O
InChIInChI=1S/C17H23NO2/c1-5-12-11-15(19)18(16(12)20)14-9-7-13(8-10-14)17(3,4)6-2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyBAAHNCCKWGRMET-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 146383825
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
CID 166462610
(3S)-1-(4-tert-butylphenyl)-3-[(E)-dodec-2-enyl]pyrrolidine-2,5-dione
CID 98105838
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide
CID 166462604
4-[4-(3-hexan-3-yl-2,5-dioxopyrrolidin-1-yl)phenyl]-2,2,4-trimethylpentanal
CID 130319944
CID 174135081
CID 174135081
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal
CID 102257740
4-[(3R)-3-[(3,5-dimethylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 822196
1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
CID 141142430
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione (CID 134410037) is 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione is CCC1CC(=O)N(c2ccc(C(C)(C)CC)cc2)C1=O.
What is the InChIKey of 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is BAAHNCCKWGRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-12-11-15(19)18(16(12)20)14-9-7-13(8-10-14)17(3,4)6-2/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione?
3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 273.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134410037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).