2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide

C23H26N2O4 — CID 112801557

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C23H26N2O4/c1-3-25(15-17-8-9-20-22(12-17)28-11-10-27-20)23(26)14-24-16(2)21-13-18-6-4-5-7-19(18)29-21/h4-9,12-13,16,24H,3,10-11,14-15H2,1-2H3
InChIKeyVKSYYKSIHTZIJR-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.90
Rot. Bonds7

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide (PubChem CID 112801557) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
PubChem CID112801557
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C23H26N2O4/c1-3-25(15-17-8-9-20-22(12-17)28-11-10-27-20)23(26)14-24-16(2)21-13-18-6-4-5-7-19(18)29-21/h4-9,12-13,16,24H,3,10-11,14-15H2,1-2H3
InChIKeyVKSYYKSIHTZIJR-UHFFFAOYSA-N
XLogP3.90
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide with MolForge

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Related Compounds

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide
CID 112801563
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylpropanamide
CID 51728417
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2603932
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692963
4-chloro-N-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-3-oxopropyl]benzamide
CID 18160684
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide
CID 112798759
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide (CID 112801557) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(C)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
The InChIKey is VKSYYKSIHTZIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-25(15-17-8-9-20-22(12-17)28-11-10-27-20)23(26)14-24-16(2)21-13-18-6-4-5-7-19(18)29-21/h4-9,12-13,16,24H,3,10-11,14-15H2,1-2H3.
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide has a molecular weight of 394.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide is sourced from PubChem (CID 112801557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).