1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione

C17H24N2O2 — CID 83142541

IUPAC1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
SMILESCC(CNC1CC(=O)N(c2ccccc2)C1=O)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-12(17(2,3)4)11-18-14-10-15(20)19(16(14)21)13-8-6-5-7-9-13/h5-9,12,14,18H,10-11H2,1-4H3
InChIKeyWDGHOYBSFWRVEM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.59
Rot. Bonds4

About 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione

1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione (PubChem CID 83142541) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
PubChem CID83142541
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
SMILESCC(CNC1CC(=O)N(c2ccccc2)C1=O)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-12(17(2,3)4)11-18-14-10-15(20)19(16(14)21)13-8-6-5-7-9-13/h5-9,12,14,18H,10-11H2,1-4H3
InChIKeyWDGHOYBSFWRVEM-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.59
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-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione (CID 83142541) is 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione is CC(CNC1CC(=O)N(c2ccccc2)C1=O)C(C)(C)C.
What is the InChIKey of 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
The InChIKey is WDGHOYBSFWRVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(17(2,3)4)11-18-14-10-15(20)19(16(14)21)13-8-6-5-7-9-13/h5-9,12,14,18H,10-11H2,1-4H3.
What are the key properties of 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 83142541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).