N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide

C24H19N3O4 — CID 53112175

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19N3O4/c28-24(26-12-16-5-10-22-23(11-16)31-15-30-22)14-29-18-8-6-17(7-9-18)21-13-25-19-3-1-2-4-20(19)27-21/h1-11,13H,12,14-15H2,(H,26,28)
InChIKeyJAVTXBWMMLETAG-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.72
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide (PubChem CID 53112175) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
PubChem CID53112175
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19N3O4/c28-24(26-12-16-5-10-22-23(11-16)31-15-30-22)14-29-18-8-6-17(7-9-18)21-13-25-19-3-1-2-4-20(19)27-21/h1-11,13H,12,14-15H2,(H,26,28)
InChIKeyJAVTXBWMMLETAG-UHFFFAOYSA-N
XLogP3.72
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 26678252
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 1345651
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 4286720
1-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-3-ylurea
CID 175700636
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 56783337
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823403

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide (CID 53112175) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide is O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide?
The InChIKey is JAVTXBWMMLETAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-24(26-12-16-5-10-22-23(11-16)31-15-30-22)14-29-18-8-6-17(7-9-18)21-13-25-19-3-1-2-4-20(19)27-21/h1-11,13H,12,14-15H2,(H,26,28).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide has a molecular weight of 413.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide is sourced from PubChem (CID 53112175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).