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Chemical ID: 7496823

Chemical ID:

7496823

Name [?]:

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

SMILES [?]:

CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2OC)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,25,23,2,4,8,17,5,7,18,20,15,10,3,16,6,19,21,11,14,13,12,24,22,9/E:(5,6)(8,9)/rA:25nCCCCCCCCOCCONNCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	5.52439
Area:	582.273
Solvation:	-9.03243
Coulombic:	-38.0065

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	342.389
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.41
LogP (Chemaxon):	3.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value