N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N2O5 — CID 6494526

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-2-26-17-6-4-16(5-7-17)23-13-14(11-20(23)24)21(25)22-15-3-8-18-19(12-15)28-10-9-27-18/h3-8,12,14H,2,9-11,13H2,1H3,(H,22,25)
InChIKeyGJOWINYDOGONRJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.85
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6494526) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6494526
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-2-26-17-6-4-16(5-7-17)23-13-14(11-20(23)24)21(25)22-15-3-8-18-19(12-15)28-10-9-27-18/h3-8,12,14H,2,9-11,13H2,1H3,(H,22,25)
InChIKeyGJOWINYDOGONRJ-UHFFFAOYSA-N
XLogP2.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

CeMMEC13
CID 110694558
N-(3-(benzyloxy)phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072555
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2561217
N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964350
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341
(4-Nitrophenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 3390783
(2,6-Dimethoxyphenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 3901557
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4591414
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4791664

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 6494526) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GJOWINYDOGONRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-26-17-6-4-16(5-7-17)23-13-14(11-20(23)24)21(25)22-15-3-8-18-19(12-15)28-10-9-27-18/h3-8,12,14H,2,9-11,13H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6494526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).