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Chemical ID: 7255672

Chemical ID:

7255672

Name [?]:

2-(6-ethylbenzofuran-3-yl)-N-(1-phenylethyl)acetamide

SMILES [?]:

CCc1ccc2c(c1)occ2CC(=O)NC(C)c3ccccc3

InChi [?]:

InChI=1/C20H21NO2/c1-3-15-9-10-18-17(13-23-19(18)11-15)12-20(22)21-14(2)16-7-5-4-6-8-16/h4-11,13-14H,3,12H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,17,2,21,20,22,19,23,4,5,8,12,10,16,3,18,11,6,7,13,15,14,9/E:(5,6)(7,8)/rA:23cCCCCCCCCOCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s11;s12;d13;s13;s15;s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁NO₂
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	9.96045
Area:	535.226
Solvation:	-3.42019
Coulombic:	-29.5097

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	307.386
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.34
LogP (Chemaxon):	4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value