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

C21H24N2O3 — CID 2854580

IUPAC3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-9-7-17(8-10-18)11-13-22-19-15-20(24)23(21(19)25)14-12-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3
InChIKeyJGZSUYLYMSVNRA-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.20
Rot. Bonds8

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

3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2854580) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2854580
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-9-7-17(8-10-18)11-13-22-19-15-20(24)23(21(19)25)14-12-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3
InChIKeyJGZSUYLYMSVNRA-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.20
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

N-(2-Isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide
CID 128564
1-Pyrrolidineacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-oxo-
CID 3071633
N*4*-Hydroxy-2-isobutyl-N*1*-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide
CID 44293416
N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
CID 2360210
Nocazine C
CID 56600878
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895807
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methoxyphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895830
N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 729989
H-Tyr(OMe)-Phe(2-Me)-NH2
CID 45379600
(2R)-N'-hydroxy-2-[(4-hydroxyphenyl)methyl]-N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]butanediamide
CID 11037377
2-(S)-Amino-4-(4-methoxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11255193
N*1*-(2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-[3-(4-methoxy-phenyl)-propyl]-succinamide
CID 44314901

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 2854580) is 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione is COc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is JGZSUYLYMSVNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-18-9-7-17(8-10-18)11-13-22-19-15-20(24)23(21(19)25)14-12-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 352.43 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2854580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).