2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C15H23ClN2O3 — CID 119511064

IUPAC2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCOc1ccccc1OCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-2-19-13-7-3-4-8-14(13)20-11-15(18)17-10-12-6-5-9-16-12;/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18);1H
InChIKeyWLXNOSSOOUGCHG-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.75
Rot. Bonds7

About 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119511064) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119511064
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCOc1ccccc1OCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-2-19-13-7-3-4-8-14(13)20-11-15(18)17-10-12-6-5-9-16-12;/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18);1H
InChIKeyWLXNOSSOOUGCHG-UHFFFAOYSA-N
XLogP1.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
2-(2,6-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514519
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511055
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510428
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512967
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119511064) is 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is CCOc1ccccc1OCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is WLXNOSSOOUGCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-2-19-13-7-3-4-8-14(13)20-11-15(18)17-10-12-6-5-9-16-12;/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119511064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).