Chemical ID: 6337896

CCCOc1ccc(cc1OCC)C=C(C#N)C(=O)NCC2CCCO2
Chemical ID:
6337896
Name [?]:
2-cyano-3-(3-ethoxy-4-propoxy-phenyl)-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
SMILES [?]:
CCCOc1ccc(cc1OCC)C=C(C#N)C(=O)NCC2CCCO2
InChi [?]:
InChI=1/C20H26N2O4/c1-3-9-26-18-8-7-15(12-19(18)24-4-2)11-16(13-21)20(23)22-14-17-6-5-10-25-17/h7-8,11-12,17H,3-6,9-10,14H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,24,23,7,6,3,25,14,9,16,21,8,15,22,5,10,18,17,20,19,11,26,4/rA:26cCCCOCCCCCCOCCCCCNCONCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;w14;s15;t16;s15;d18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.10442
Area:625.225
Solvation:-6.52622
Coulombic:-47.7088
Bond Count [?]
All:27
Single:21
Double:5
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:358.432
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.04
LogP (Chemaxon):2.26

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Descriptor Annotations

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