2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

C25H23NO5 — CID 7761229

IUPAC2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H23NO5/c27-24(26-13-12-18-6-11-22-23(16-18)30-15-14-29-22)17-31-21-9-7-20(8-10-21)25(28)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2,(H,26,27)
InChIKeyLYXJIFBRYKVQPQ-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.43
Rot. Bonds8

About 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (PubChem CID 7761229) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
PubChem CID7761229
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H23NO5/c27-24(26-13-12-18-6-11-22-23(16-18)30-15-14-29-22)17-31-21-9-7-20(8-10-21)25(28)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2,(H,26,27)
InChIKeyLYXJIFBRYKVQPQ-UHFFFAOYSA-N
XLogP3.43
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255550
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16594643
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 26678252
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-3-phenoxypropanamide
CID 110314174
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-oxobutanoic acid
CID 9152135
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-benzamidobenzoate
CID 16601012
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8960798
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-phenoxybenzoate
CID 16595936
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 110789849

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (CID 7761229) is 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The InChIKey is LYXJIFBRYKVQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c27-24(26-13-12-18-6-11-22-23(16-18)30-15-14-29-22)17-31-21-9-7-20(8-10-21)25(28)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2,(H,26,27).
What are the key properties of 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide has a molecular weight of 417.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is sourced from PubChem (CID 7761229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).