N-(pyridin-3-yl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide
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Identifiers
Molecular formula
C19H18N2O3SMILES
C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)NC4=CN=CC=C4
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Odor profile
Fragrance Fruity 50.71% Roasted 31.35% Cooked 29.4% Odorless 28.22% Savory 27.8% Meaty 25.0% Grape 24.74% Burnt 22.53% Animal 21.94% Berry 21.14% Flavor Bitter 81.93% Odorless 32.63% Bland 26.16% Sweet-like 20.91% Cedarleaf 19.76% Cereal 19.55% Very strong 19.33% Parsley 19.13% Nitrile 19.13% Indole 19.13% Odor impact est.
Low -
Properties
XLogP3-AA
3.4pKa est.
6.62 (neutral)Molecular weight
322.4 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
814°CFlash point
- 271.0 ˚C est.
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Synonyms
- Enamine_002736
- CBKinase1_004021
- CBKinase1_016421
- Oprea1_216162
- HMS1401M08
- STK847666
- AKOS000675861
- IDI1_007083
- VU0047631-1
- BRD-K78642238-001-01-3
- Z56825068
- N-(pyridin-3-yl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide
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Applications
N-(pyridin-3-yl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide is commonly viewed as an intermediate in medicinal chemistry and other organic-synthesis explorations, enabling the preparation of pyridinyl-containing amide derivatives for library design. It also serves as a versatile building block for accessing heteroaryl-oxyamide motifs. Owing to its dibenzofuran core and pyridine moiety, the compound may be explored as a precursor scaffold for materials-related applications, including dye/pigment components in coatings or inks and functional units in organic electronic or photonic systems. Additionally, it may be considered for agrochemical discovery workflows. Practical use depends on regulatory and formulation considerations in the relevant jurisdiction.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 10.48 methanol 18.59 isopropanol 7.25 water 0.08 ethyl acetate 27.56 n-propanol 8.78 acetone 49.22 n-butanol 10.47 acetonitrile 21.84 DMF 68.2 toluene 13.53 isobutanol 7.87 1,4-dioxane 45.94 methyl acetate 32.44 THF 114.97 2-butanone 39.6 n-pentanol 12.66 sec-butanol 6.75 n-hexane 0.31 ethylene glycol 7.12 NMP 31.55 cyclohexane 0.7 DMSO 101.45 n-butyl acetate 16.08 n-octanol 5.15 chloroform 65.4 n-propyl acetate 21.05 acetic acid 41.59 dichloromethane 109.79 cyclohexanone 55.55 propylene glycol 4.52 isopropyl acetate 17.22 DMAc 143.48 2-ethoxyethanol 46.86 isopentanol 12.2 n-heptane 0.63 ethyl formate 25.05 1,2-dichloroethane 56.6 n-hexanol 8.84 2-methoxyethanol 52.63 isobutyl acetate 16.63 tetrachloromethane 3.73 n-pentyl acetate 14.82 transcutol 111.53 n-heptanol 7.1 ethylbenzene 6.27 MIBK 17.88 2-propoxyethanol 35.74 tert-butanol 7.76 MTBE 6.98 2-butoxyethanol 23.71 propionic acid 17.15 o-xylene 6.51 formic acid 28.32 diethyl ether 10.5 m-xylene 6.93 p-xylene 9.47 chlorobenzene 21.25 dimethyl carbonate 25.54 n-octane 0.48 formamide 44.82 cyclopentanone 60.96 2-pentanone 27.3 anisole 15.81 cyclopentyl methyl ether 21.29 gamma-butyrolactone 65.61 1-methoxy-2-propanol 27.86 pyridine 66.0 3-pentanone 24.29 furfural 73.93 n-dodecane 0.62 diethylene glycol 39.46 diisopropyl ether 3.08 tert-amyl alcohol 6.9 acetylacetone 43.84 n-hexadecane 0.73 acetophenone 25.86 methyl propionate 27.55 isopentyl acetate 18.05 trichloroethylene 102.77 n-nonanol 6.45 cyclohexanol 12.24 benzyl alcohol 25.35 2-ethylhexanol 6.74 isooctanol 6.97 dipropyl ether 8.47 1,2-dichlorobenzene 18.11 ethyl lactate 15.11 propylene carbonate 31.11 n-methylformamide 29.63 2-pentanol 6.16 n-pentane 0.27 1-propoxy-2-propanol 18.71 1-methoxy-2-propyl acetate 25.67 2-(2-methoxypropoxy) propanol 25.9 mesitylene 3.82 ε-caprolactone 39.34 p-cymene 5.0 epichlorohydrin 103.19 1,1,1-trichloroethane 21.53 2-aminoethanol 9.49 morpholine-4-carbaldehyde 59.56 sulfolane 62.59 2,2,4-trimethylpentane 0.34 2-methyltetrahydrofuran 31.91 n-hexyl acetate 14.56 isooctane 0.25 2-(2-butoxyethoxy)ethanol 35.19 sec-butyl acetate 15.25 tert-butyl acetate 14.98 decalin 0.7 glycerin 14.55 diglyme 70.76 acrylic acid 22.98 isopropyl myristate 8.26 n-butyric acid 25.72 acetyl acetate 23.34 di(2-ethylhexyl) phthalate 12.56 ethyl propionate 19.05 nitromethane 78.82 1,2-diethoxyethane 30.84 benzonitrile 29.55 trioctyl phosphate 7.9 1-bromopropane 14.4 gamma-valerolactone 85.9 n-decanol 5.38 triethyl phosphate 12.15 4-methyl-2-pentanol 5.5 propionitrile 21.69 vinylene carbonate 38.14 1,1,2-trichlorotrifluoroethane 60.54 DMS 22.94 cumene 4.62 2-octanol 4.67 2-hexanone 23.53 octyl acetate 10.51 limonene 5.32 1,2-dimethoxyethane 64.71 ethyl orthosilicate 11.76 tributyl phosphate 10.01 diacetone alcohol 22.66 N,N-dimethylaniline 11.8 acrylonitrile 33.63 aniline 20.53 1,3-propanediol 18.84 bromobenzene 20.33 dibromomethane 42.69 1,1,2,2-tetrachloroethane 58.89 2-methyl-cyclohexyl acetate 15.16 tetrabutyl urea 15.28 diisobutyl methanol 4.86 2-phenylethanol 20.39 styrene 8.29 dioctyl adipate 15.01 dimethyl sulfate 35.2 ethyl butyrate 16.51 methyl lactate 18.12 butyl lactate 14.42 diethyl carbonate 14.41 propanediol butyl ether 15.08 triethyl orthoformate 15.08 p-tert-butyltoluene 3.98 methyl 4-tert-butylbenzoate 21.39 morpholine 43.77 tert-butylamine 3.38 n-dodecanol 4.57 dimethoxymethane 58.64 ethylene carbonate 33.28 cyrene 29.57 2-ethoxyethyl acetate 29.59 2-ethylhexyl acetate 13.76 1,2,4-trichlorobenzene 22.63 4-methylpyridine 39.75 dibutyl ether 8.75 2,6-dimethyl-4-heptanol 4.86 DEF 32.67 dimethyl isosorbide 41.36 tetrachloroethylene 41.08 eugenol 25.35 triacetin 24.03 span 80 16.62 1,4-butanediol 12.88 1,1-dichloroethane 28.54 2-methyl-1-pentanol 13.91 methyl formate 32.34 2-methyl-1-butanol 10.07 n-decane 0.87 butyronitrile 19.42 3,7-dimethyl-1-octanol 6.49 1-chlorooctane 3.96 1-chlorotetradecane 2.28 n-nonane 0.66 undecane 0.72 tert-butylcyclohexane 0.51 cyclooctane 0.33 cyclopentanol 12.64 tetrahydropyran 29.66 tert-amyl methyl ether 6.85 2,5,8-trioxanonane 50.96 1-hexene 2.45 2-isopropoxyethanol 28.37 2,2,2-trifluoroethanol 20.1 methyl butyrate 23.69 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |