4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide

C26H25N3O4 — CID 2427402

IUPAC4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N[C@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)cc2)cc1
InChIInChI=1S/C26H25N3O4/c1-16-4-13-23(17(2)14-16)29-24(30)15-22(26(29)32)27-19-7-5-18(6-8-19)25(31)28-20-9-11-21(33-3)12-10-20/h4-14,22,27H,15H2,1-3H3,(H,28,31)/t22-/m0/s1
InChIKeyZFIHGLUOHNUYEX-QFIPXVFZSA-N
MW443.50 g/mol
LogP4.31
Rot. Bonds6

About 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide

4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 2427402) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID2427402
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N[C@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)cc2)cc1
InChIInChI=1S/C26H25N3O4/c1-16-4-13-23(17(2)14-16)29-24(30)15-22(26(29)32)27-19-7-5-18(6-8-19)25(31)28-20-9-11-21(33-3)12-10-20/h4-14,22,27H,15H2,1-3H3,(H,28,31)/t22-/m0/s1
InChIKeyZFIHGLUOHNUYEX-QFIPXVFZSA-N
XLogP4.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 7928181
1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
CID 5174295
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560433
N'-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4,5-trimethoxybenzohydrazide
CID 51579469
methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2230145
ethyl 4-[(3S)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1147346
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160137
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
(3S)-1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220441

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide (CID 2427402) is 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N[C@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)cc2)cc1.
What is the InChIKey of 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is ZFIHGLUOHNUYEX-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-16-4-13-23(17(2)14-16)29-24(30)15-22(26(29)32)27-19-7-5-18(6-8-19)25(31)28-20-9-11-21(33-3)12-10-20/h4-14,22,27H,15H2,1-3H3,(H,28,31)/t22-/m0/s1.
What are the key properties of 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 2427402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).