1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione

C15H20N2O3 — CID 43636432

IUPAC1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-17-14(18)10-13(15(17)19)16-9-8-11-4-6-12(20-2)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeySDTPDOJGXSGVTN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.97
Rot. Bonds6

About 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione

1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 43636432) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
PubChem CID43636432
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-17-14(18)10-13(15(17)19)16-9-8-11-4-6-12(20-2)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeySDTPDOJGXSGVTN-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
(3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928103
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928102
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 61171064
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
CID 2162408
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2877150
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98158192
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21167498
1-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 2927944

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione (CID 43636432) is 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NCCc2ccc(OC)cc2)C1=O.
What is the InChIKey of 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is SDTPDOJGXSGVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-17-14(18)10-13(15(17)19)16-9-8-11-4-6-12(20-2)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43636432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).