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

C13H16N2O3 — CID 110792509

IUPACN-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2)cc1C
InChIInChI=1S/C13H16N2O3/c1-8-7-9(3-5-11(8)18-2)14-13(17)10-4-6-12(16)15-10/h3,5,7,10H,4,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyONUFDZMIPHLYHT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.22
Rot. Bonds3

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

N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110792509) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110792509
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2)cc1C
InChIInChI=1S/C13H16N2O3/c1-8-7-9(3-5-11(8)18-2)14-13(17)10-4-6-12(16)15-10/h3,5,7,10H,4,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyONUFDZMIPHLYHT-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 42889996
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110792509) is N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCC(=O)N2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ONUFDZMIPHLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-7-9(3-5-11(8)18-2)14-13(17)10-4-6-12(16)15-10/h3,5,7,10H,4,6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110792509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).