2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide

C19H19NO6 — CID 55747511

IUPAC2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H19NO6/c1-13(21)14-2-4-15(5-3-14)24-11-19(22)20-8-9-23-16-6-7-17-18(10-16)26-12-25-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyZPUKOIHSAPHCPS-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.19
Rot. Bonds8

About 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide

2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide (PubChem CID 55747511) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
PubChem CID55747511
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H19NO6/c1-13(21)14-2-4-15(5-3-14)24-11-19(22)20-8-9-23-16-6-7-17-18(10-16)26-12-25-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyZPUKOIHSAPHCPS-UHFFFAOYSA-N
XLogP2.19
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 55747351
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
4-(4-acetylphenyl)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazine-1-carboxamide
CID 55809276
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 4785230
2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 7763941
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492281
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 18121430
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide (CID 55747511) is 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide is CC(=O)c1ccc(OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide?
The InChIKey is ZPUKOIHSAPHCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-13(21)14-2-4-15(5-3-14)24-11-19(22)20-8-9-23-16-6-7-17-18(10-16)26-12-25-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide?
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide is sourced from PubChem (CID 55747511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).