2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

C16H23ClN2O3 — CID 119537117

IUPAC2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCC(=O)c1cccc(OCC(=O)NCCC2CCNC2)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-12(19)14-3-2-4-15(9-14)21-11-16(20)18-8-6-13-5-7-17-10-13;/h2-4,9,13,17H,5-8,10-11H2,1H3,(H,18,20);1H
InChIKeyTUVVQARUKNOVEB-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.81
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119537117) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119537117
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCC(=O)c1cccc(OCC(=O)NCCC2CCNC2)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-12(19)14-3-2-4-15(9-14)21-11-16(20)18-8-6-13-5-7-17-10-13;/h2-4,9,13,17H,5-8,10-11H2,1H3,(H,18,20);1H
InChIKeyTUVVQARUKNOVEB-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534991
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (CID 119537117) is 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is CC(=O)c1cccc(OCC(=O)NCCC2CCNC2)c1.Cl.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is TUVVQARUKNOVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-12(19)14-3-2-4-15(9-14)21-11-16(20)18-8-6-13-5-7-17-10-13;/h2-4,9,13,17H,5-8,10-11H2,1H3,(H,18,20);1H.
What are the key properties of 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119537117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).