(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate

C20H20N2O4 — CID 89059403

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate
SMILESCc1cccc(Nc2ccccc2CC(=O)ON2C(=O)CCC2=O)c1C
InChIInChI=1S/C20H20N2O4/c1-13-6-5-9-16(14(13)2)21-17-8-4-3-7-15(17)12-20(25)26-22-18(23)10-11-19(22)24/h3-9,21H,10-12H2,1-2H3
InChIKeyMXLDIXNBIORSFW-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.20
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate (PubChem CID 89059403) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate
PubChem CID89059403
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate
SMILESCc1cccc(Nc2ccccc2CC(=O)ON2C(=O)CCC2=O)c1C
InChIInChI=1S/C20H20N2O4/c1-13-6-5-9-16(14(13)2)21-17-8-4-3-7-15(17)12-20(25)26-22-18(23)10-11-19(22)24/h3-9,21H,10-12H2,1-2H3
InChIKeyMXLDIXNBIORSFW-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.20
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

2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate
CID 118907048
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
cyanomethyl 2-[2-(2,6-dimethylanilino)phenyl]acetate
CID 54226375
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204312
2-(2,3-dimethylanilino)benzaldehyde
CID 15027376
2,3-dimethyl-N-phenylaniline
CID 14952469
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
ethyl 2-[1-benzyl-2-(2,3-dimethylanilino)-4-oxopyrimidin-5-yl]acetate
CID 163928985

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate (CID 89059403) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate is Cc1cccc(Nc2ccccc2CC(=O)ON2C(=O)CCC2=O)c1C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate?
The InChIKey is MXLDIXNBIORSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-6-5-9-16(14(13)2)21-17-8-4-3-7-15(17)12-20(25)26-22-18(23)10-11-19(22)24/h3-9,21H,10-12H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate has a molecular weight of 352.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate is sourced from PubChem (CID 89059403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).