(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione

C20H22N2O4 — CID 98188014

IUPAC(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-12-6-5-7-13(2)19(12)22-18(23)11-16(20(22)24)21-15-9-8-14(25-3)10-17(15)26-4/h5-10,16,21H,11H2,1-4H3/t16-/m1/s1
InChIKeyRDZVZYPABZXAKT-MRXNPFEDSA-N
MW354.41 g/mol
LogP3.06
Rot. Bonds5

About (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione

(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 98188014) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID98188014
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-12-6-5-7-13(2)19(12)22-18(23)11-16(20(22)24)21-15-9-8-14(25-3)10-17(15)26-4/h5-10,16,21H,11H2,1-4H3/t16-/m1/s1
InChIKeyRDZVZYPABZXAKT-MRXNPFEDSA-N
XLogP3.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035
3-[(3S)-3-(2,4-dimethoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 93235150
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
(3R)-1-(2,4-dimethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188163
(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235231
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 51860142
(3R)-3-(2-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235235
(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 98368892
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188012
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione (CID 98188014) is (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione is COc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(OC)c1.
What is the InChIKey of (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is RDZVZYPABZXAKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-6-5-7-13(2)19(12)22-18(23)11-16(20(22)24)21-15-9-8-14(25-3)10-17(15)26-4/h5-10,16,21H,11H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).