1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione

C17H22N2O4 — CID 3139874

IUPAC1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NCC3CCCO3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-22-13-7-5-12(6-8-13)19-16(20)10-15(17(19)21)18-11-14-4-3-9-23-14/h5-8,14-15,18H,2-4,9-11H2,1H3
InChIKeyBMWJYAWLINOLDK-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.49
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 3139874) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID3139874
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NCC3CCCO3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-22-13-7-5-12(6-8-13)19-16(20)10-15(17(19)21)18-11-14-4-3-9-23-14/h5-8,14-15,18H,2-4,9-11H2,1H3
InChIKeyBMWJYAWLINOLDK-UHFFFAOYSA-N
XLogP1.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione (CID 3139874) is 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(NCC3CCCO3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is BMWJYAWLINOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-22-13-7-5-12(6-8-13)19-16(20)10-15(17(19)21)18-11-14-4-3-9-23-14/h5-8,14-15,18H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 318.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 3139874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).