2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C15H23ClN2O2 — CID 119509770

IUPAC2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCOc1ccc(CC(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-14-7-5-12(6-8-14)10-15(18)17-11-13-4-3-9-16-13;/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18);1H
InChIKeyAVSSRXRQKNAIHL-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.92
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119509770) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119509770
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCOc1ccc(CC(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-14-7-5-12(6-8-14)10-15(18)17-11-13-4-3-9-16-13;/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18);1H
InChIKeyAVSSRXRQKNAIHL-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
CID 119513323
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260422
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510428
2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 59529213
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119509770) is 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is CCOc1ccc(CC(=O)NCC2CCCN2)cc1.Cl.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is AVSSRXRQKNAIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-2-19-14-7-5-12(6-8-14)10-15(18)17-11-13-4-3-9-16-13;/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119509770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).