N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide

C21H19NO4 — CID 26678252

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H19NO4/c23-21(14-26-18-7-6-16-3-1-2-4-17(16)12-18)22-13-15-5-8-19-20(11-15)25-10-9-24-19/h1-8,11-12H,9-10,13-14H2,(H,22,23)
InChIKeyTVFYBWLCQOIHDL-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.31
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 26678252) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
PubChem CID26678252
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H19NO4/c23-21(14-26-18-7-6-16-3-1-2-4-17(16)12-18)22-13-15-5-8-19-20(11-15)25-10-9-24-19/h1-8,11-12H,9-10,13-14H2,(H,22,23)
InChIKeyTVFYBWLCQOIHDL-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 26678170
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 24543744
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-naphthalen-2-yloxyacetamide
CID 26072019
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
CID 31308040
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 55577770
2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 7761229
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112175
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide (CID 26678252) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is TVFYBWLCQOIHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-21(14-26-18-7-6-16-3-1-2-4-17(16)12-18)22-13-15-5-8-19-20(11-15)25-10-9-24-19/h1-8,11-12H,9-10,13-14H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 349.39 g/mol, XLogP of 3.31, 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-ylmethyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 26678252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).