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Chemical ID: 5794237

Chemical ID:

5794237

Name [?]:

2-(4-butylphenoxy)-N-[(3-methoxyphenyl)methyleneamino]acetamide

SMILES [?]:

CCCCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC

InChi [?]:

InChI=1/C20H24N2O3/c1-3-4-6-16-9-11-18(12-10-16)25-15-20(23)22-21-14-17-7-5-8-19(13-17)24-2/h5,7-14H,3-4,6,15H2,1-2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,25,2,3,20,4,19,21,6,10,7,9,23,17,12,5,18,8,22,13,16,15,14,24,11/E:(9,10)(11,12)/rA:25nCCCCCCCCCCOCCONNCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.43576
Area:	603.745
Solvation:	-6.65786
Coulombic:	-33.9637

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	340.416
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.63
LogP (Chemaxon):	4.42

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