1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione

C16H21NO3 — CID 79181723

IUPAC1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCCc1ccc(C(O)CN2C(=O)C(C)C(C)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-4-12-5-7-13(8-6-12)14(18)9-17-15(19)10(2)11(3)16(17)20/h5-8,10-11,14,18H,4,9H2,1-3H3
InChIKeyUBXQSQZOGGEHBJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79181723) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79181723
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCCc1ccc(C(O)CN2C(=O)C(C)C(C)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-4-12-5-7-13(8-6-12)14(18)9-17-15(19)10(2)11(3)16(17)20/h5-8,10-11,14,18H,4,9H2,1-3H3
InChIKeyUBXQSQZOGGEHBJ-UHFFFAOYSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 99107338
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301431
1-[2-(3-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969248
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969239
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 63769037
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
2-[2-amino-2-(4-ethylphenyl)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513402
1-(2-hydroxy-4-phenylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 75521813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79181723) is 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione is CCc1ccc(C(O)CN2C(=O)C(C)C(C)C2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is UBXQSQZOGGEHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-12-5-7-13(8-6-12)14(18)9-17-15(19)10(2)11(3)16(17)20/h5-8,10-11,14,18H,4,9H2,1-3H3.
What are the key properties of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79181723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).