3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C16H28N2O3 — CID 83036032

IUPAC3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(NC2CC(=O)N(C(C)C)C2=O)CCO1
InChIInChI=1S/C16H28N2O3/c1-5-16(6-2)10-12(7-8-21-16)17-13-9-14(19)18(11(3)4)15(13)20/h11-13,17H,5-10H2,1-4H3
InChIKeyLUWBTDUPHZQQEG-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds5

About 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 83036032) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID83036032
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(NC2CC(=O)N(C(C)C)C2=O)CCO1
InChIInChI=1S/C16H28N2O3/c1-5-16(6-2)10-12(7-8-21-16)17-13-9-14(19)18(11(3)4)15(13)20/h11-13,17H,5-10H2,1-4H3
InChIKeyLUWBTDUPHZQQEG-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 83036032) is 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CCC1(CC)CC(NC2CC(=O)N(C(C)C)C2=O)CCO1.
What is the InChIKey of 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is LUWBTDUPHZQQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-16(6-2)10-12(7-8-21-16)17-13-9-14(19)18(11(3)4)15(13)20/h11-13,17H,5-10H2,1-4H3.
What are the key properties of 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 83036032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).