N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H18N2O2 — CID 110687327

IUPACN-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCC(=O)N2C)c1
InChIInChI=1S/C14H18N2O2/c1-9-4-5-10(2)11(8-9)15-14(18)12-6-7-13(17)16(12)3/h4-5,8,12H,6-7H2,1-3H3,(H,15,18)
InChIKeyKBKZRNWEARIWGV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110687327) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110687327
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCC(=O)N2C)c1
InChIInChI=1S/C14H18N2O2/c1-9-4-5-10(2)11(8-9)15-14(18)12-6-7-13(17)16(12)3/h4-5,8,12H,6-7H2,1-3H3,(H,15,18)
InChIKeyKBKZRNWEARIWGV-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92850386
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
(2S)-N-(2,5-dimethylphenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7084177
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687377
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
1-methyl-N-(5-methyl-1H-indol-6-yl)-6-oxopiperidine-2-carboxamide
CID 146133051
(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166256094
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520843

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 110687327) is N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is Cc1ccc(C)c(NC(=O)C2CCC(=O)N2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KBKZRNWEARIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-4-5-10(2)11(8-9)15-14(18)12-6-7-13(17)16(12)3/h4-5,8,12H,6-7H2,1-3H3,(H,15,18).
What are the key properties of N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110687327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).