2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride

C15H23ClN2O4 — CID 120948074

IUPAC2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
SMILESCCOc1ccccc1OCC(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-2-20-13-5-3-4-6-14(13)21-10-15(19)17-8-11-7-16-9-12(11)18;/h3-6,11-12,16,18H,2,7-10H2,1H3,(H,17,19);1H
InChIKeyWYKQTIFDVRTSTD-UHFFFAOYSA-N
MW330.81 g/mol
LogP0.58
Rot. Bonds7

About 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride

2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride (PubChem CID 120948074) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
PubChem CID120948074
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
SMILESCCOc1ccccc1OCC(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-2-20-13-5-3-4-6-14(13)21-10-15(19)17-8-11-7-16-9-12(11)18;/h3-6,11-12,16,18H,2,7-10H2,1H3,(H,17,19);1H
InChIKeyWYKQTIFDVRTSTD-UHFFFAOYSA-N
XLogP0.58
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 120944120
2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945408
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
1-(2-ethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943263
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 120946931
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945161

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride (CID 120948074) is 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride is CCOc1ccccc1OCC(=O)NCC1CNCC1O.Cl.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
The InChIKey is WYKQTIFDVRTSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-2-20-13-5-3-4-6-14(13)21-10-15(19)17-8-11-7-16-9-12(11)18;/h3-6,11-12,16,18H,2,7-10H2,1H3,(H,17,19);1H.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120948074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).