3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione

C23H26N2O4 — CID 110597154

IUPAC3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(C(C)C)C2=O)cc1OC
InChIInChI=1S/C23H26N2O4/c1-13(2)25-22(26)20(16-10-11-18(28-5)19(12-16)29-6)21(23(25)27)24-17-9-7-8-14(3)15(17)4/h7-13,24H,1-6H3
InChIKeyDTTWSRBMGMFGEL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.92
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110597154) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110597154
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(C(C)C)C2=O)cc1OC
InChIInChI=1S/C23H26N2O4/c1-13(2)25-22(26)20(16-10-11-18(28-5)19(12-16)29-6)21(23(25)27)24-17-9-7-8-14(3)15(17)4/h7-13,24H,1-6H3
InChIKeyDTTWSRBMGMFGEL-UHFFFAOYSA-N
XLogP3.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110597186
3-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)anilino]-1-propan-2-ylpyrrole-2,5-dione
CID 110597139
3-(3-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-methylpyrrole-2,5-dione
CID 110596964
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597976
3-(3,4-dimethoxyphenyl)-4-(4-piperidin-1-ylanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110597135
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110588965
3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597986
3-(2,3-dimethylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594736
3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110589219
3-(3,4-dimethoxyphenyl)-4-(2,5-dimethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110597238
3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110589215
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110589264

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione (CID 110597154) is 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione is COc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(C(C)C)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is DTTWSRBMGMFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-13(2)25-22(26)20(16-10-11-18(28-5)19(12-16)29-6)21(23(25)27)24-17-9-7-8-14(3)15(17)4/h7-13,24H,1-6H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 394.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110597154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).