methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate

C20H20N2O6 — CID 2999586

IUPACmethyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(NC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1
InChIInChI=1S/C20H20N2O6/c1-26-16-8-7-14(10-17(16)27-2)22-18(23)11-15(19(22)24)21-13-6-4-5-12(9-13)20(25)28-3/h4-10,15,21H,11H2,1-3H3
InChIKeyKDURIVXDXCLLEA-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.23
Rot. Bonds6

About methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate

methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate (PubChem CID 2999586) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate
PubChem CID2999586
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namemethyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(NC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1
InChIInChI=1S/C20H20N2O6/c1-26-16-8-7-14(10-17(16)27-2)22-18(23)11-15(19(22)24)21-13-6-4-5-12(9-13)20(25)28-3/h4-10,15,21H,11H2,1-3H3
InChIKeyKDURIVXDXCLLEA-UHFFFAOYSA-N
XLogP2.23
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate with MolForge

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Related Compounds

Ecabapide
CID 65885
N-(2-aminophenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 15984110
Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carbamoyl)pyrrolidine-1-carboxamido)-methyl)benzoate
CID 122164799
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 2161567
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 9442147
N-1,3-benzodioxol-5-yl-5-oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-L-prolinamide
CID 16399116
N-(3,4-dimethoxyphenyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 3236167
3-[(6,7-Dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-4-methyl-benzoic acid methyl ester
CID 60162923
N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
CID 649011
3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-acetylamino}-benzoic acid ethyl ester
CID 651462
methyl 3-{[N-1,3-benzodioxol-5-yl-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate
CID 1265880
N-1,3-benzodioxol-5-yl-3-[(2-ethylbutanoyl)amino]benzamide
CID 2218419

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate (CID 2999586) is methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate is COC(=O)c1cccc(NC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1.
What is the InChIKey of methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate?
The InChIKey is KDURIVXDXCLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-26-16-8-7-14(10-17(16)27-2)22-18(23)11-15(19(22)24)21-13-6-4-5-12(9-13)20(25)28-3/h4-10,15,21H,11H2,1-3H3.
What are the key properties of methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate?
methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate has a molecular weight of 384.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate is sourced from PubChem (CID 2999586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).