methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C20H20N2O4 — CID 2883667

IUPACmethyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C20H20N2O4/c1-13-7-9-15(10-8-13)22-12-14(11-18(22)23)19(24)21-17-6-4-3-5-16(17)20(25)26-2/h3-10,14H,11-12H2,1-2H3,(H,21,24)
InChIKeyROFVNIYIKFWBOF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 2883667) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID2883667
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C20H20N2O4/c1-13-7-9-15(10-8-13)22-12-14(11-18(22)23)19(24)21-17-6-4-3-5-16(17)20(25)26-2/h3-10,14H,11-12H2,1-2H3,(H,21,24)
InChIKeyROFVNIYIKFWBOF-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 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 2883667) is methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is ROFVNIYIKFWBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-7-9-15(10-8-13)22-12-14(11-18(22)23)19(24)21-17-6-4-3-5-16(17)20(25)26-2/h3-10,14H,11-12H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 2-[[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 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 2883667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).