methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

C20H20N2O4 — CID 113189313

IUPACmethyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C20H20N2O4/c1-21(16-8-4-3-5-9-16)19(24)15-12-18(23)22(13-15)17-10-6-7-14(11-17)20(25)26-2/h3-11,15H,12-13H2,1-2H3
InChIKeyRGRZUTKXRBPBBB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.49
Rot. Bonds4

About methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 113189313) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
PubChem CID113189313
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C20H20N2O4/c1-21(16-8-4-3-5-9-16)19(24)15-12-18(23)22(13-15)17-10-6-7-14(11-17)20(25)26-2/h3-11,15H,12-13H2,1-2H3
InChIKeyRGRZUTKXRBPBBB-UHFFFAOYSA-N
XLogP2.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189282
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
methyl 3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189320
1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693233
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
methyl 3-[4-[(3,4-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189318
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (CID 113189313) is methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is COC(=O)c1cccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c1.
What is the InChIKey of methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is RGRZUTKXRBPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-21(16-8-4-3-5-9-16)19(24)15-12-18(23)22(13-15)17-10-6-7-14(11-17)20(25)26-2/h3-11,15H,12-13H2,1-2H3.
What are the key properties of methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 113189313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).