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Chemical ID: 7298001

Chemical ID:

7298001

Name [?]:

N-methyl-2-(6-methylbenzofuran-3-yl)-N-(p-tolylmethyl)acetamide

SMILES [?]:

Cc1ccc(cc1)CN(C)C(=O)Cc2coc3c2ccc(c3)C

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,23,10,3,7,20,4,6,19,22,13,8,15,2,21,5,14,18,17,11,9,12,16/E:(4,5)(7,8)/rA:23nCCCCCCCCNCCOCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.54848
Area:	522.907
Solvation:	-3.5242
Coulombic:	-24.0711

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	307.386
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.93
LogP (Chemaxon):	4.6

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