3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H25ClN2O3 — CID 119452708

IUPAC3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NC2CCNC2)cc1OCC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-9-21-14-6-5-12(10-15(14)20-4-2)16(19)18-13-7-8-17-11-13;/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H
InChIKeyFHJZKZLTEMAVRA-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.39
Rot. Bonds7

About 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119452708) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119452708
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NC2CCNC2)cc1OCC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-9-21-14-6-5-12(10-15(14)20-4-2)16(19)18-13-7-8-17-11-13;/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H
InChIKeyFHJZKZLTEMAVRA-UHFFFAOYSA-N
XLogP2.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119450928
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119452708) is 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCOc1ccc(C(=O)NC2CCNC2)cc1OCC.Cl.
What is the InChIKey of 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is FHJZKZLTEMAVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-3-9-21-14-6-5-12(10-15(14)20-4-2)16(19)18-13-7-8-17-11-13;/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119452708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).