N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide

C21H24N2O3 — CID 16822159

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccc(N2CC(NC(=O)COc3ccccc3C)CC2=O)cc1C
InChIInChI=1S/C21H24N2O3/c1-14-8-9-18(10-16(14)3)23-12-17(11-21(23)25)22-20(24)13-26-19-7-5-4-6-15(19)2/h4-10,17H,11-13H2,1-3H3,(H,22,24)
InChIKeyWVTGNDCIRACRKC-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.91
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 16822159) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID16822159
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccc(N2CC(NC(=O)COc3ccccc3C)CC2=O)cc1C
InChIInChI=1S/C21H24N2O3/c1-14-8-9-18(10-16(14)3)23-12-17(11-21(23)25)22-20(24)13-26-19-7-5-4-6-15(19)2/h4-10,17H,11-13H2,1-3H3,(H,22,24)
InChIKeyWVTGNDCIRACRKC-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547885
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547881
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 16822158
2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7547833
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 16822262
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
2-(2-fluorophenoxy)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822267
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 16822122
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822124

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide (CID 16822159) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide is Cc1ccc(N2CC(NC(=O)COc3ccccc3C)CC2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is WVTGNDCIRACRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-8-9-18(10-16(14)3)23-12-17(11-21(23)25)22-20(24)13-26-19-7-5-4-6-15(19)2/h4-10,17H,11-13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 16822159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).