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Chemical ID: 4131360

CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2ccc(cc2)OCc3ccccc3

Chemical ID:

4131360

Name [?]:

2-(4-benzyloxyphenoxy)-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]propanamide

SMILES [?]:

CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C25H26N2O5/c1-3-30-24-15-20(9-14-23(24)28)16-26-27-25(29)18(2)32-22-12-10-21(11-13-22)31-17-19-7-5-4-6-8-19/h4-16,18,28H,3,17H2,1-2H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,17,2,30,29,31,28,32,7,21,23,20,24,8,5,11,26,16,27,6,22,19,9,4,14,12,13,10,15,3,25,18/E:(5,6)(7,8)(10,11)(12,13)/rA:32cCCOCCCCCCOCNNCOCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	8.55607
Area:	702.997
Solvation:	-9.01886
Coulombic:	-57.987

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	434.484
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.76
LogP (Chemaxon):	4.88

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

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

Chemical Mix	Source	External ID	Descriptor	Value