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

C21H21N3O5 — CID 17120097

IUPACmethyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C21H21N3O5/c1-13(25)22-15-7-9-16(10-8-15)24-12-14(11-19(24)26)20(27)23-18-6-4-3-5-17(18)21(28)29-2/h3-10,14H,11-12H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyNBASQYMLTDWQOV-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.42
Rot. Bonds5

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

methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 17120097) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID17120097
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Namemethyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C21H21N3O5/c1-13(25)22-15-7-9-16(10-8-15)24-12-14(11-19(24)26)20(27)23-18-6-4-3-5-17(18)21(28)29-2/h3-10,14H,11-12H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyNBASQYMLTDWQOV-UHFFFAOYSA-N
XLogP2.42
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
methyl 2-[4-[(4-acetamidophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189225
1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120257
methyl 2-[[1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113190189
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
ethyl 2-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188992
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
methyl 2-hydroxy-3-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 56576224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 17120097) is methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is NBASQYMLTDWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13(25)22-15-7-9-16(10-8-15)24-12-14(11-19(24)26)20(27)23-18-6-4-3-5-17(18)21(28)29-2/h3-10,14H,11-12H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 395.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 17120097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).