N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide

C14H20N2O2 — CID 61363868

IUPACN-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCCOc1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-12(9-13)16-14(17)10-11-6-4-8-15-11/h3,5,7,9,11,15H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyBUTRVLLKKHYRSF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds5

About N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide

N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61363868) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61363868
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCCOc1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-12(9-13)16-14(17)10-11-6-4-8-15-11/h3,5,7,9,11,15H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyBUTRVLLKKHYRSF-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-(3-ethoxyphenyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147673
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713879
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119713721
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide (CID 61363868) is N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide is CCOc1cccc(NC(=O)CC2CCCN2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is BUTRVLLKKHYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-12(9-13)16-14(17)10-11-6-4-8-15-11/h3,5,7,9,11,15H,2,4,6,8,10H2,1H3,(H,16,17).
What are the key properties of N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 248.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61363868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).