N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

C13H16N2O3 — CID 110687358

IUPACN-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C13H16N2O3/c1-15-10(7-8-12(15)16)13(17)14-9-5-3-4-6-11(9)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,17)
InChIKeyAURGTOIAUVSNQZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.25
Rot. Bonds3

About N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110687358) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110687358
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C13H16N2O3/c1-15-10(7-8-12(15)16)13(17)14-9-5-3-4-6-11(9)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,17)
InChIKeyAURGTOIAUVSNQZ-UHFFFAOYSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 93072370
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073602
N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133070
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
(2R,3R)-N-(2-methoxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136953
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
(2S)-N-[5-(3-chloro-4-cyanophenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073787
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 110687358) is N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccccc1NC(=O)C1CCC(=O)N1C.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AURGTOIAUVSNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-10(7-8-12(15)16)13(17)14-9-5-3-4-6-11(9)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110687358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).