(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione

C20H22N2O3 — CID 2274438

IUPAC(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2)C1=O
InChIInChI=1S/C20H22N2O3/c1-3-12-25-18-7-5-4-6-17(18)22-19(23)13-16(20(22)24)21-15-10-8-14(2)9-11-15/h4-11,16,21H,3,12-13H2,1-2H3/t16-/m1/s1
InChIKeyFQMULGKLSYZXKI-MRXNPFEDSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds6

About (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2274438) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2274438
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2)C1=O
InChIInChI=1S/C20H22N2O3/c1-3-12-25-18-7-5-4-6-17(18)22-19(23)13-16(20(22)24)21-15-10-8-14(2)9-11-15/h4-11,16,21H,3,12-13H2,1-2H3/t16-/m1/s1
InChIKeyFQMULGKLSYZXKI-MRXNPFEDSA-N
XLogP3.53
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 ≤ 53.53
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

1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188169
1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 43844823
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 167825068
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051
(3S)-3-(4-methylsulfanylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51659053

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione (CID 2274438) is (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2)C1=O.
What is the InChIKey of (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is FQMULGKLSYZXKI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-12-25-18-7-5-4-6-17(18)22-19(23)13-16(20(22)24)21-15-10-8-14(2)9-11-15/h4-11,16,21H,3,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2274438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).