1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione

C16H22N2O2 — CID 43636471

IUPAC1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-10(2)12-5-7-13(8-6-12)17-14-9-15(19)18(11(3)4)16(14)20/h5-8,10-11,14,17H,9H2,1-4H3
InChIKeyZXNQZODMCSMSSC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.76
Rot. Bonds4

About 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione

1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione (PubChem CID 43636471) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
PubChem CID43636471
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-10(2)12-5-7-13(8-6-12)17-14-9-15(19)18(11(3)4)16(14)20/h5-8,10-11,14,17H,9H2,1-4H3
InChIKeyZXNQZODMCSMSSC-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636637
3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636447
3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 60934332
3-(3-bromo-4-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 104776646
3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 107364701
3-(3-methylsulfanylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636337
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 71970963
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
CID 79100069
1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione
CID 62783272
3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 61043290

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione (CID 43636471) is 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione is CC(C)c1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is ZXNQZODMCSMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)12-5-7-13(8-6-12)17-14-9-15(19)18(11(3)4)16(14)20/h5-8,10-11,14,17H,9H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).