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Chemical ID: 7041495

Chemical ID:

7041495

Name [?]:

N-benzyl-N,3,5,6-tetramethyl-benzofuran-2-carboxamide

SMILES [?]:

Cc1cc2c(c(oc2cc1C)C(=O)N(C)Cc3ccccc3)C

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,11,23,15,20,19,21,18,22,3,9,16,2,10,5,17,4,8,6,12,14,13,7/E:(6,7)(8,9)/rA:23nCCCCCCOCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;s14;s16;s17;d18;s19;d20;d17s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.6872
Area:	498.915
Solvation:	-1.78563
Coulombic:	-29.4894

Bond Count [?]

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

Chemical Properties

Molecular Weight:	307.386
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.35
LogP (Chemaxon):	4.71

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