2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide

C14H20N2O2 — CID 119450074

IUPAC2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
SMILESCCc1ccc(OCC(=O)NC2CCNC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-11-3-5-13(6-4-11)18-10-14(17)16-12-7-8-15-9-12/h3-6,12,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyPGEKUMOTQMNGSG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide

2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide (PubChem CID 119450074) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
PubChem CID119450074
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
SMILESCCc1ccc(OCC(=O)NC2CCNC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-11-3-5-13(6-4-11)18-10-14(17)16-12-7-8-15-9-12/h3-6,12,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyPGEKUMOTQMNGSG-UHFFFAOYSA-N
XLogP1.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
CID 119451956
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
N-(3,3-dimethylcyclopentyl)-2-(4-ethylphenoxy)acetamide
CID 115880657
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
2-(4-benzoylphenoxy)-N-piperidin-3-ylacetamide
CID 119426216
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide (CID 119450074) is 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide is CCc1ccc(OCC(=O)NC2CCNC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide?
The InChIKey is PGEKUMOTQMNGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-3-5-13(6-4-11)18-10-14(17)16-12-7-8-15-9-12/h3-6,12,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide?
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119450074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).