N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide

C22H17NO4 — CID 4728241

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H17NO4/c24-21(23-11-14-5-7-18-20(9-14)27-13-26-18)10-16-12-25-19-8-6-15-3-1-2-4-17(15)22(16)19/h1-9,12H,10-11,13H2,(H,23,24)
InChIKeyAVIFCUYVMZJXLH-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.17
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide (PubChem CID 4728241) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
PubChem CID4728241
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H17NO4/c24-21(23-11-14-5-7-18-20(9-14)27-13-26-18)10-16-12-25-19-8-6-15-3-1-2-4-17(15)22(16)19/h1-9,12H,10-11,13H2,(H,23,24)
InChIKeyAVIFCUYVMZJXLH-UHFFFAOYSA-N
XLogP4.17
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
1,3-benzodioxol-5-yl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7741516
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 8531335
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
N-(1,3-benzodioxol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2810328
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide (CID 4728241) is N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide is O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide?
The InChIKey is AVIFCUYVMZJXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(23-11-14-5-7-18-20(9-14)27-13-26-18)10-16-12-25-19-8-6-15-3-1-2-4-17(15)22(16)19/h1-9,12H,10-11,13H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide has a molecular weight of 359.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide is sourced from PubChem (CID 4728241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).