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Chemical ID: 6722730

Chemical ID:

6722730

Name [?]:

N-[(2,4-dimethoxyphenyl)methyleneamino]-2-(2,6-dimethylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1OCC(=O)NN=Cc2ccc(cc2OC)OC)C

InChi [?]:

InChI=1/C19H22N2O4/c1-13-6-5-7-14(2)19(13)25-12-18(22)21-20-11-15-8-9-16(23-3)10-17(15)24-4/h5-11H,12H2,1-4H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,24,22,4,3,5,16,17,19,14,9,2,6,15,18,20,10,7,13,12,11,23,21,8/E:(1,2)(6,7)(13,14)/rA:25nCCCCCCCOCCONNCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂O₄
All Atoms:	47
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.09434
Area:	575.058
Solvation:	-7.28212
Coulombic:	-40.302

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	342.389
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.96
LogP (Chemaxon):	3.45

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