Chemical ID: 6621039

CCOc1ccccc1C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccccc2OCC
Chemical ID:
6621039
Name [?]:
N,N'-bis[(2-ethoxyphenyl)methyleneamino]nonanediamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccccc2OCC
InChi [?]:
InChI=1/C27H36N4O4/c1-3-34-24-16-12-10-14-22(24)20-28-30-26(32)18-8-6-5-7-9-19-27(33)31-29-21-23-15-11-13-17-25(23)35-4-2/h10-17,20-21H,3-9,18-19H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,35,2,34,18,17,19,16,20,7,29,6,30,8,28,5,31,15,21,10,26,9,27,4,32,13,22,11,25,12,24,14,23,3,33/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/gE:(1,2)/rA:35nCCOCCCCCCCNNCOCCCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;s24;w25;s26;s27;d28;s29;d30;d27s31;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H36N4O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.6434
Area:828.141
Solvation:-8.06012
Coulombic:-51.8383
Bond Count [?]
All:36
Single:26
Double:10
Rotors:18
Chiral:2
Rigid Segments:11
Chemical Properties
Molecular Weight:480.599
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:7.1
LogP (Chemaxon):5.15

Name Annotations

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Descriptor Annotations

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