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Chemical ID: 4143322

Chemical ID:

4143322

Name [?]:

N-(2,4-dimethoxyphenyl)-2-(2-tert-butylphenoxy)-acetamide

SMILES [?]:

CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(cc2OC)OC

InChi [?]:

InChI=1/C20H25NO4/c1-20(2,3)15-8-6-7-9-17(15)25-13-19(22)21-16-11-10-14(23-4)12-18(16)24-5/h6-12H,13H2,1-5H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,3,4,25,23,7,8,6,9,18,17,20,12,19,5,16,10,21,13,2,15,14,24,22,11/E:(1,2,3)/rA:25nCCCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.56748
Area:	560.281
Solvation:	-5.43955
Coulombic:	-44.1834

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	343.417
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.11
LogP (Chemaxon):	4.0

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