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Chemical ID: 6645875

CCCCOc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3

Chemical ID:

6645875

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-2-(4-butoxyphenoxy)-acetamide

SMILES [?]:

CCCCOc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,3,30,29,31,28,32,20,24,21,23,7,11,8,10,4,18,26,13,19,27,6,22,9,14,17,16,15,5,25,12/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:32nCCCCOCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;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:	10.0592
Area:	733.314
Solvation:	-8.27368
Coulombic:	-42.2494

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	432.512
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.57
LogP (Chemaxon):	5.5

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value