Chemical ID: 6401206

CCOc1ccccc1C=NNC(=O)CCCCCCC(=O)NN=Cc2ccccc2OCC
Chemical ID:
6401206
Name [?]:
N,N'-bis[(2-ethoxyphenyl)methyleneamino]octanediamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)CCCCCCC(=O)NN=Cc2ccccc2OCC
InChi [?]:
InChI=1/C26H34N4O4/c1-3-33-23-15-11-9-13-21(23)19-27-29-25(31)17-7-5-6-8-18-26(32)30-28-20-22-14-10-12-16-24(22)34-4-2/h9-16,19-20H,3-8,17-18H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,34,2,33,17,18,16,19,7,28,6,29,8,27,5,30,15,20,10,25,9,26,4,31,13,21,11,24,12,23,14,22,3,32/E:(1,2)(3,4)(5,6)(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)/gE:(1,2)/rA:34nCCOCCCCCCCNNCOCCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34N4O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.1583
Area:802.584
Solvation:-7.90626
Coulombic:-51.7093
Bond Count [?]
All:35
Single:25
Double:10
Rotors:17
Chiral:2
Rigid Segments:11
Chemical Properties
Molecular Weight:466.573
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:6.53
LogP (Chemaxon):4.75

Name Annotations

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Descriptor Annotations

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