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Chemical ID: 7316809

Chemical ID:

7316809

Name [?]:

2-(6-methylbenzofuran-3-yl)-N-(2,4,6-trimethylphenyl)-acetamide

SMILES [?]:

Cc1ccc2c(c1)occ2CC(=O)Nc3c(cc(cc3C)C)C

InChi [?]:

InChI=1/C20H21NO2/c1-12-5-6-17-16(11-23-18(17)9-12)10-19(22)21-20-14(3)7-13(2)8-15(20)4/h5-9,11H,10H2,1-4H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,3,4,19,17,7,11,9,2,18,20,16,10,5,6,12,15,14,13,8/E:(3,4)(7,8)(14,15)/rA:23nCCCCCCCOCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁NO₂
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.38527
Area:	519.306
Solvation:	-3.59738
Coulombic:	-26.985

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	307.386
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.09
LogP (Chemaxon):	4.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value