N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C14H18N2O2 — CID 9325430

IUPACN-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-11-4-6-12(7-5-11)9-15-13(17)10-16-8-2-3-14(16)18/h4-7H,2-3,8-10H2,1H3,(H,15,17)
InChIKeySFMJXSQMORYXMM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 9325430) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID9325430
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-11-4-6-12(7-5-11)9-15-13(17)10-16-8-2-3-14(16)18/h4-7H,2-3,8-10H2,1H3,(H,15,17)
InChIKeySFMJXSQMORYXMM-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
2-methyl-1-[(4-methylphenyl)methyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111245312
2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 78883415
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 86824300
N-[(4-methylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276056
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 9325430) is N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1ccc(CNC(=O)CN2CCCC2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is SFMJXSQMORYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-4-6-12(7-5-11)9-15-13(17)10-16-8-2-3-14(16)18/h4-7H,2-3,8-10H2,1H3,(H,15,17).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 9325430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).