2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride

C13H19ClN2O2 — CID 119450091

IUPAC2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-2-4-12(5-3-10)17-9-13(16)15-11-6-7-14-8-11;/h2-5,11,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyRTUKGHUSEMAYGE-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.27
Rot. Bonds4

About 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119450091) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119450091
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-2-4-12(5-3-10)17-9-13(16)15-11-6-7-14-8-11;/h2-5,11,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyRTUKGHUSEMAYGE-UHFFFAOYSA-N
XLogP1.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.27
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-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
CID 119451956
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119450091) is 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride is Cc1ccc(OCC(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is RTUKGHUSEMAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-10-2-4-12(5-3-10)17-9-13(16)15-11-6-7-14-8-11;/h2-5,11,14H,6-9H2,1H3,(H,15,16);1H.
What are the key properties of 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119450091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).