N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide

C19H19NO5 — CID 2542196

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO5/c1-2-16(21)13-3-6-15(7-4-13)25-12-19(22)20-14-5-8-17-18(11-14)24-10-9-23-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyHYSYKQAQFKQERE-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.07
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 2542196) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide
PubChem CID2542196
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO5/c1-2-16(21)13-3-6-15(7-4-13)25-12-19(22)20-14-5-8-17-18(11-14)24-10-9-23-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyHYSYKQAQFKQERE-UHFFFAOYSA-N
XLogP3.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide (CID 2542196) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is HYSYKQAQFKQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-2-16(21)13-3-6-15(7-4-13)25-12-19(22)20-14-5-8-17-18(11-14)24-10-9-23-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 341.36 g/mol, XLogP of 3.07, 6 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)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2542196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).