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

C13H16N2O2 — CID 67117839

IUPAC2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(CC(N)=O)ccc1N1CCCC1=O
InChIInChI=1S/C13H16N2O2/c1-9-7-10(8-12(14)16)4-5-11(9)15-6-2-3-13(15)17/h4-5,7H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyQMBLQYKPHFMPAT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.15
Rot. Bonds3

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

2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 67117839) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID67117839
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(CC(N)=O)ccc1N1CCCC1=O
InChIInChI=1S/C13H16N2O2/c1-9-7-10(8-12(14)16)4-5-11(9)15-6-2-3-13(15)17/h4-5,7H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyQMBLQYKPHFMPAT-UHFFFAOYSA-N
XLogP1.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7687436
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
1-[(4-fluorophenyl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38203655
1-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyrrolidin-2-one
CID 60813009
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 37219418
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 67117839) is 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1cc(CC(N)=O)ccc1N1CCCC1=O.
What is the InChIKey of 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is QMBLQYKPHFMPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-7-10(8-12(14)16)4-5-11(9)15-6-2-3-13(15)17/h4-5,7H,2-3,6,8H2,1H3,(H2,14,16).
What are the key properties of 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 67117839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).