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

C13H16N2O3 — CID 66244482

IUPAC3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-8(9-3-5-10(18-2)6-4-9)14-11-7-12(16)15-13(11)17/h3-6,8,11,14H,7H2,1-2H3,(H,15,16,17)
InChIKeyYXBXNWCRFYRDDU-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.76
Rot. Bonds4

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

3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 66244482) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
PubChem CID66244482
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-8(9-3-5-10(18-2)6-4-9)14-11-7-12(16)15-13(11)17/h3-6,8,11,14H,7H2,1-2H3,(H,15,16,17)
InChIKeyYXBXNWCRFYRDDU-UHFFFAOYSA-N
XLogP0.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81348257
3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81352768
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 106388110
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine
CID 124745453

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione (CID 66244482) is 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione is COc1ccc(C(C)NC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is YXBXNWCRFYRDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(9-3-5-10(18-2)6-4-9)14-11-7-12(16)15-13(11)17/h3-6,8,11,14H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 66244482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).