1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione

C15H26N2O3 — CID 83033573

IUPAC1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-10(2)17-13(18)8-12(14(17)19)16-11-6-7-20-15(3,4)9-11/h10-12,16H,5-9H2,1-4H3
InChIKeyUXRGWGIIWGGQHC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds4

About 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione

1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione (PubChem CID 83033573) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione
PubChem CID83033573
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-10(2)17-13(18)8-12(14(17)19)16-11-6-7-20-15(3,4)9-11/h10-12,16H,5-9H2,1-4H3
InChIKeyUXRGWGIIWGGQHC-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 83036032
1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
CID 107851903
1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 61366170
1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 43638288
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
CID 83014747
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059
3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107582972
1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
CID 43638134
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
CID 54950819
methyl 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propanoate
CID 54960207

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione (CID 83033573) is 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NC2CCOC(C)(C)C2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is UXRGWGIIWGGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-10(2)17-13(18)8-12(14(17)19)16-11-6-7-20-15(3,4)9-11/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 83033573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).