1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione

C17H24N2O2 — CID 105060790

IUPAC1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C(C)(CN)c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-17(5-2)11-14(20)19(15(17)21)16(3,12-18)13-9-7-6-8-10-13/h6-10H,4-5,11-12,18H2,1-3H3
InChIKeyIAJUKKJQASMEHP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.43
Rot. Bonds5

About 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione

1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 105060790) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID105060790
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C(C)(CN)c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-17(5-2)11-14(20)19(15(17)21)16(3,12-18)13-9-7-6-8-10-13/h6-10H,4-5,11-12,18H2,1-3H3
InChIKeyIAJUKKJQASMEHP-UHFFFAOYSA-N
XLogP2.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione (CID 105060790) is 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C(C)(CN)c2ccccc2)C1=O.
What is the InChIKey of 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is IAJUKKJQASMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-17(5-2)11-14(20)19(15(17)21)16(3,12-18)13-9-7-6-8-10-13/h6-10H,4-5,11-12,18H2,1-3H3.
What are the key properties of 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione?
1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 105060790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).