methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C20H20N2O4 — CID 2890459

IUPACmethyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H20N2O4/c1-13-3-9-17(10-4-13)22-12-15(11-18(22)23)19(24)21-16-7-5-14(6-8-16)20(25)26-2/h3-10,15H,11-12H2,1-2H3,(H,21,24)
InChIKeyOQGVXBMTGWLGKA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.77
Rot. Bonds4

About methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 2890459) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID2890459
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H20N2O4/c1-13-3-9-17(10-4-13)22-12-15(11-18(22)23)19(24)21-16-7-5-14(6-8-16)20(25)26-2/h3-10,15H,11-12H2,1-2H3,(H,21,24)
InChIKeyOQGVXBMTGWLGKA-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 2890459) is methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is OQGVXBMTGWLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-3-9-17(10-4-13)22-12-15(11-18(22)23)19(24)21-16-7-5-14(6-8-16)20(25)26-2/h3-10,15H,11-12H2,1-2H3,(H,21,24).
What are the key properties of methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 2890459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).