N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

C20H23NO4 — CID 17396613

IUPACN-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H23NO4/c1-3-14-6-5-7-15(4-2)20(14)21-19(22)13-25-16-8-9-17-18(12-16)24-11-10-23-17/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,22)
InChIKeyAHBICYMCYHLGNN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.60
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (PubChem CID 17396613) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
PubChem CID17396613
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H23NO4/c1-3-14-6-5-7-15(4-2)20(14)21-19(22)13-25-16-8-9-17-18(12-16)24-11-10-23-17/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,22)
InChIKeyAHBICYMCYHLGNN-UHFFFAOYSA-N
XLogP3.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534227
N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24582149
2-(3-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7697860
2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9137727
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 18159237
2-(4-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 2606243
2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 26712228
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate
CID 7081819

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (CID 17396613) is N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The InChIKey is AHBICYMCYHLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-14-6-5-7-15(4-2)20(14)21-19(22)13-25-16-8-9-17-18(12-16)24-11-10-23-17/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is sourced from PubChem (CID 17396613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).