2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

C22H24N2O3 — CID 58418001

IUPAC2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(C2(C)CC(=O)N(CC(=O)NCc3ccccc3C)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-15-8-10-18(11-9-15)22(3)12-20(26)24(21(22)27)14-19(25)23-13-17-7-5-4-6-16(17)2/h4-11H,12-14H2,1-3H3,(H,23,25)
InChIKeyWQWHPZYSGMHLCX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 58418001) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID58418001
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(C2(C)CC(=O)N(CC(=O)NCc3ccccc3C)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-15-8-10-18(11-9-15)22(3)12-20(26)24(21(22)27)14-19(25)23-13-17-7-5-4-6-16(17)2/h4-11H,12-14H2,1-3H3,(H,23,25)
InChIKeyWQWHPZYSGMHLCX-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 125135902
N-(4-methylphenyl)-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091021
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 56506448
N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9490748
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 20882777
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456306
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
N-[(2-methylphenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768423

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 58418001) is 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccc(C2(C)CC(=O)N(CC(=O)NCc3ccccc3C)C2=O)cc1.
What is the InChIKey of 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is WQWHPZYSGMHLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-8-10-18(11-9-15)22(3)12-20(26)24(21(22)27)14-19(25)23-13-17-7-5-4-6-16(17)2/h4-11H,12-14H2,1-3H3,(H,23,25).
What are the key properties of 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 58418001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).