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Chemical ID: 6433017

CCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

Chemical ID:

6433017

Name [?]:

N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(4-propylphenoxy)-acetamide

SMILES [?]:

CCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

InChI=1/C26H28N2O4/c1-3-7-20-10-13-23(14-11-20)31-19-26(29)28-27-17-22-12-15-24(25(16-22)30-2)32-18-21-8-5-4-6-9-21/h4-6,8-17H,3,7,18-19H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,24,2,30,29,31,3,28,32,5,9,18,6,8,19,22,16,26,11,4,27,17,7,20,21,12,15,14,13,23,10,25/E:(5,6)(8,9)(10,11)(13,14)/rA:32nCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.78609
Area:	725.049
Solvation:	-9.34013
Coulombic:	-41.5336

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	432.512
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.42
LogP (Chemaxon):	5.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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