Chemical ID: 5490730

CCCCOc1ccc(cc1OCC)C=C(C#N)C(=O)NCc2ccccc2
Chemical ID:
5490730
Name [?]:
N-benzyl-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enamide
SMILES [?]:
CCCCOc1ccc(cc1OCC)C=C(C#N)C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C23H26N2O3/c1-3-5-13-28-21-12-11-19(15-22(21)27-4-2)14-20(16-24)23(26)25-17-18-9-7-6-8-10-18/h6-12,14-15H,3-5,13,17H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,14,2,13,3,26,25,27,24,28,8,7,4,15,10,17,22,23,9,16,6,11,19,18,21,20,12,5/E:(7,8)(9,10)/rA:28nCCCCOCCCCCCOCCCCCNCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s9;w15;s16;t17;s16;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3026
Area:665.916
Solvation:-5.34528
Coulombic:-42.172
Bond Count [?]
All:29
Single:20
Double:8
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:378.464
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.96
LogP (Chemaxon):4.2

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