(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione

C18H18N2O3 — CID 1225051

IUPAC(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12-8-9-16(23-2)14(10-12)19-15-11-17(21)20(18(15)22)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3/t15-/m1/s1
InChIKeyKAKNZKBULKSOJV-OAHLLOKOSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds4

About (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione

(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 1225051) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
PubChem CID1225051
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12-8-9-16(23-2)14(10-12)19-15-11-17(21)20(18(15)22)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3/t15-/m1/s1
InChIKeyKAKNZKBULKSOJV-OAHLLOKOSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
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

(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2440458
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035
(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 98187808
N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 7928181
3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 51859864
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione (CID 1225051) is (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione is COc1ccc(C)cc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is KAKNZKBULKSOJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-8-9-16(23-2)14(10-12)19-15-11-17(21)20(18(15)22)13-6-4-3-5-7-13/h3-10,15,19H,11H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione?
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 310.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 1225051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).