1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione

C17H24N2O2 — CID 79178954

IUPAC1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCc1cc(C)c(C(N)CN2C(=O)C(C)C(C)C2=O)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-9-6-10(2)15(11(3)7-9)14(18)8-19-16(20)12(4)13(5)17(19)21/h6-7,12-14H,8,18H2,1-5H3
InChIKeyMNMUCDQYGFBCJD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.25
Rot. Bonds3

About 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79178954) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79178954
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCc1cc(C)c(C(N)CN2C(=O)C(C)C(C)C2=O)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-9-6-10(2)15(11(3)7-9)14(18)8-19-16(20)12(4)13(5)17(19)21/h6-7,12-14H,8,18H2,1-5H3
InChIKeyMNMUCDQYGFBCJD-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.25
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-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79178954) is 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione is Cc1cc(C)c(C(N)CN2C(=O)C(C)C(C)C2=O)c(C)c1.
What is the InChIKey of 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is MNMUCDQYGFBCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-9-6-10(2)15(11(3)7-9)14(18)8-19-16(20)12(4)13(5)17(19)21/h6-7,12-14H,8,18H2,1-5H3.
What are the key properties of 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79178954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).