1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione

C20H27NO3 — CID 2900998

IUPAC1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(CCN2C(=O)CCC2=O)(Cc2ccccc2)CCO1
InChIInChI=1S/C20H27NO3/c1-19(2)15-20(11-13-24-19,14-16-6-4-3-5-7-16)10-12-21-17(22)8-9-18(21)23/h3-7H,8-15H2,1-2H3
InChIKeyQVHLYNQQYAMKLA-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 2900998) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID2900998
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(CCN2C(=O)CCC2=O)(Cc2ccccc2)CCO1
InChIInChI=1S/C20H27NO3/c1-19(2)15-20(11-13-24-19,14-16-6-4-3-5-7-16)10-12-21-17(22)8-9-18(21)23/h3-7H,8-15H2,1-2H3
InChIKeyQVHLYNQQYAMKLA-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
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-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione (CID 2900998) is 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione is CC1(C)CC(CCN2C(=O)CCC2=O)(Cc2ccccc2)CCO1.
What is the InChIKey of 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is QVHLYNQQYAMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-19(2)15-20(11-13-24-19,14-16-6-4-3-5-7-16)10-12-21-17(22)8-9-18(21)23/h3-7H,8-15H2,1-2H3.
What are the key properties of 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 329.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2900998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).