N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H16N2O3 — CID 78981643

IUPACN-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H16N2O3/c1-8-3-4-10(11(5-8)18-2)15-13(17)9-6-12(16)14-7-9/h3-5,9H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZDFBJGUXOYKHGO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.08
Rot. Bonds3

About N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981643) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78981643
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H16N2O3/c1-8-3-4-10(11(5-8)18-2)15-13(17)9-6-12(16)14-7-9/h3-5,9H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZDFBJGUXOYKHGO-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982076
N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982206
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982066
N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981746
N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981980
2-hydroxy-N-(2-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 110015372
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 78981617
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78981643) is N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(C)ccc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZDFBJGUXOYKHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-3-4-10(11(5-8)18-2)15-13(17)9-6-12(16)14-7-9/h3-5,9H,6-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).