2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide

C14H18N2O3 — CID 146131599

IUPAC2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CNC(=O)C2)cc1C
InChIInChI=1S/C14H18N2O3/c1-9-3-4-12(5-10(9)2)19-8-14(18)16-11-6-13(17)15-7-11/h3-5,11H,6-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZMVHDBMGAUHSIJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.69
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide

2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide (PubChem CID 146131599) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide
PubChem CID146131599
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CNC(=O)C2)cc1C
InChIInChI=1S/C14H18N2O3/c1-9-3-4-12(5-10(9)2)19-8-14(18)16-11-6-13(17)15-7-11/h3-5,11H,6-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZMVHDBMGAUHSIJ-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 55210132
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006
2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 63661589
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547885

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide (CID 146131599) is 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide is Cc1ccc(OCC(=O)NC2CNC(=O)C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is ZMVHDBMGAUHSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-4-12(5-10(9)2)19-8-14(18)16-11-6-13(17)15-7-11/h3-5,11H,6-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide?
2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 146131599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).