1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione

C17H22N2O2 — CID 60986488

IUPAC1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione
SMILESCC(C)(CNC1CC(=O)N(C2CC2)C1=O)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-17(2,12-6-4-3-5-7-12)11-18-14-10-15(20)19(16(14)21)13-8-9-13/h3-7,13-14,18H,8-11H2,1-2H3
InChIKeyFPHRRCLTCNCFGN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds5

About 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione (PubChem CID 60986488) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione
PubChem CID60986488
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione
SMILESCC(C)(CNC1CC(=O)N(C2CC2)C1=O)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-17(2,12-6-4-3-5-7-12)11-18-14-10-15(20)19(16(14)21)13-8-9-13/h3-7,13-14,18H,8-11H2,1-2H3
InChIKeyFPHRRCLTCNCFGN-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
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-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione (CID 60986488) is 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione is CC(C)(CNC1CC(=O)N(C2CC2)C1=O)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione?
The InChIKey is FPHRRCLTCNCFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,12-6-4-3-5-7-12)11-18-14-10-15(20)19(16(14)21)13-8-9-13/h3-7,13-14,18H,8-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-methyl-2-phenylpropyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 60986488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).