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

C19H19NO4 — CID 7707153

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19NO4/c1-2-5-14-6-3-4-7-16(14)24-13-19(21)20-15-8-9-17-18(12-15)23-11-10-22-17/h2-4,6-9,12H,1,5,10-11,13H2,(H,20,21)
InChIKeyVIJRAUCJAHEABK-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.20
Rot. Bonds6

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 7707153) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID7707153
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19NO4/c1-2-5-14-6-3-4-7-16(14)24-13-19(21)20-15-8-9-17-18(12-15)23-11-10-22-17/h2-4,6-9,12H,1,5,10-11,13H2,(H,20,21)
InChIKeyVIJRAUCJAHEABK-UHFFFAOYSA-N
XLogP3.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407053
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524388
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707136
N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237258
N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257
N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707159

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide (CID 7707153) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is VIJRAUCJAHEABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-5-14-6-3-4-7-16(14)24-13-19(21)20-15-8-9-17-18(12-15)23-11-10-22-17/h2-4,6-9,12H,1,5,10-11,13H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 325.36 g/mol, XLogP of 3.20, 6 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-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 7707153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).