2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C16H19N3O5 — CID 9006710

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)CCC2=O)c1
InChIInChI=1S/C16H19N3O5/c1-18(16(23)10-19-14(21)6-7-15(19)22)9-13(20)17-11-4-3-5-12(8-11)24-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyAPVCUBJPVLHRIM-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.24
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 9006710) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID9006710
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)CCC2=O)c1
InChIInChI=1S/C16H19N3O5/c1-18(16(23)10-19-14(21)6-7-15(19)22)9-13(20)17-11-4-3-5-12(8-11)24-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyAPVCUBJPVLHRIM-UHFFFAOYSA-N
XLogP0.24
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.24
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

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626992
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8576337
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 37225028
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 95349532
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 25336323

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 9006710) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)CCC2=O)c1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is APVCUBJPVLHRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-18(16(23)10-19-14(21)6-7-15(19)22)9-13(20)17-11-4-3-5-12(8-11)24-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 333.34 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 9006710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).