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

C18H19NO4 — CID 3146685

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H19NO4/c1-2-13-3-6-15(7-4-13)23-12-18(20)19-14-5-8-16-17(11-14)22-10-9-21-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
InChIKeyJJWFHHZYHZNYQE-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.04
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide (PubChem CID 3146685) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide
PubChem CID3146685
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H19NO4/c1-2-13-3-6-15(7-4-13)23-12-18(20)19-14-5-8-16-17(11-14)22-10-9-21-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
InChIKeyJJWFHHZYHZNYQE-UHFFFAOYSA-N
XLogP3.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide (CID 3146685) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is JJWFHHZYHZNYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-13-3-6-15(7-4-13)23-12-18(20)19-14-5-8-16-17(11-14)22-10-9-21-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 313.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 3146685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).