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Chemical ID: 6337896
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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