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

C20H22N2O3 — CID 7928102

IUPAC(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-3-7-16(8-4-14)21-18-13-19(23)22(20(18)24)12-11-15-5-9-17(25-2)10-6-15/h3-10,18,21H,11-13H2,1-2H3/t18-/m1/s1
InChIKeyYUPAAOAAUQTKNN-GOSISDBHSA-N
MW338.41 g/mol
LogP2.79
Rot. Bonds6

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

(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione (PubChem CID 7928102) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
PubChem CID7928102
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-3-7-16(8-4-14)21-18-13-19(23)22(20(18)24)12-11-15-5-9-17(25-2)10-6-15/h3-10,18,21H,11-13H2,1-2H3/t18-/m1/s1
InChIKeyYUPAAOAAUQTKNN-GOSISDBHSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.79
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)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928103
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569
2-[4-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 2085445
(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
CID 51511443
1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636432
ethyl 3-(4-methylanilino)-2,5-dioxopyrrolidine-1-carboxylate
CID 12802325
N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 4855014
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7186089
N-[2-chloro-4-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 41391246
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
methyl 1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 51613197

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione (CID 7928102) is (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione is COc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is YUPAAOAAUQTKNN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-3-7-16(8-4-14)21-18-13-19(23)22(20(18)24)12-11-15-5-9-17(25-2)10-6-15/h3-10,18,21H,11-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione?
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 7928102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).