N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide

C21H19NO3 — CID 126853964

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1COc2ccccc21
InChIInChI=1S/C21H19NO3/c23-21(22-12-17-13-25-20-8-4-3-7-19(17)20)14-24-18-10-9-15-5-1-2-6-16(15)11-18/h1-11,17H,12-14H2,(H,22,23)
InChIKeyDAFBDYKSJIREQU-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.51
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 126853964) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide
PubChem CID126853964
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1COc2ccccc21
InChIInChI=1S/C21H19NO3/c23-21(22-12-17-13-25-20-8-4-3-7-19(17)20)14-24-18-10-9-15-5-1-2-6-16(15)11-18/h1-11,17H,12-14H2,(H,22,23)
InChIKeyDAFBDYKSJIREQU-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
CID 110751057
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 16895598
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 26678252
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
CID 133186763
N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 129487565
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 18171262

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide (CID 126853964) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is DAFBDYKSJIREQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-21(22-12-17-13-25-20-8-4-3-7-19(17)20)14-24-18-10-9-15-5-1-2-6-16(15)11-18/h1-11,17H,12-14H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 333.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 126853964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).