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Chemical ID: 6621191

C=CCOc1ccccc1C=NNC(=O)CCCC(=O)NN=Cc2ccccc2OCC=C

Chemical ID:

6621191

Name [?]:

N,N'-bis[(2-allyloxyphenyl)methyleneamino]pentanediamide

SMILES [?]:

C=CCOc1ccccc1C=NNC(=O)CCCC(=O)NN=Cc2ccccc2OCC=C

InChi [?]:

InChI=1/C25H28N4O4/c1-3-16-32-22-12-7-5-10-20(22)18-26-28-24(30)14-9-15-25(31)29-27-19-21-11-6-8-13-23(21)33-17-4-2/h3-8,10-13,18-19H,1-2,9,14-17H2,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,33,2,32,8,26,7,27,17,9,25,6,28,16,18,3,31,11,23,10,24,5,29,14,19,12,22,13,21,15,20,4,30/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:33nCCCOCCCCCCCNNCOCCCCONNCCCCCCCOCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s29;s30;s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₄O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5129
Area:	766.138
Solvation:	-8.64054
Coulombic:	-53.1233

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	16
Chiral:	2
Rigid Segments:	11

Chemical Properties

Molecular Weight:	448.514
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	5.42
LogP (Chemaxon):	4.36

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