3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione

C22H26N2O3 — CID 142474472

IUPAC3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(OCCc2ccc(C(C)C3(C)CC(=O)NC3=O)cc2)cc(C)n1
InChIInChI=1S/C22H26N2O3/c1-14-11-19(12-15(2)23-14)27-10-9-17-5-7-18(8-6-17)16(3)22(4)13-20(25)24-21(22)26/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,25,26)
InChIKeyILXZJDWUEGBJIY-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.48
Rot. Bonds6

About 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione

3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 142474472) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID142474472
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(OCCc2ccc(C(C)C3(C)CC(=O)NC3=O)cc2)cc(C)n1
InChIInChI=1S/C22H26N2O3/c1-14-11-19(12-15(2)23-14)27-10-9-17-5-7-18(8-6-17)16(3)22(4)13-20(25)24-21(22)26/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,25,26)
InChIKeyILXZJDWUEGBJIY-UHFFFAOYSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione (CID 142474472) is 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione is Cc1cc(OCCc2ccc(C(C)C3(C)CC(=O)NC3=O)cc2)cc(C)n1.
What is the InChIKey of 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is ILXZJDWUEGBJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-11-19(12-15(2)23-14)27-10-9-17-5-7-18(8-6-17)16(3)22(4)13-20(25)24-21(22)26/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,25,26).
What are the key properties of 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione?
3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 142474472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).