Chemical ID: 5790628

CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC
Chemical ID:
5790628
Name [?]:
2-(4-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C21H26N2O4/c1-4-5-6-16-7-10-18(11-8-16)27-15-21(24)23-22-14-17-9-12-19(25-2)20(13-17)26-3/h7-14H,4-6,15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,3,4,6,10,19,7,9,20,23,17,12,5,18,8,21,22,13,16,15,14,26,24,11/E:(7,8)(10,11)/rA:27nCCCCCCCCCCOCCONNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.0044
Area:638.902
Solvation:-8.96815
Coulombic:-39.8215
Bond Count [?]
All:28
Single:20
Double:8
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:370.442
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.28
LogP (Chemaxon):4.17

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