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Chemical ID: 6886260
Chemical ID:
6886260
Name [?]:
N-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1OC)C=CC(=O)Nc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C20H23NO5/c1-5-26-17-9-6-14(12-18(17)24-3)7-11-20(22)21-15-8-10-16(23-2)19(13-15)25-4/h6-13H,5H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,11,24,2,6,12,18,5,19,13,8,22,7,17,20,4,9,21,14,16,15,25,10,23,3/rA:26nCCOCCCCCCOCCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO5 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.6853 |
Area: | 581.054 |
Solvation: | -8.84106 |
Coulombic: | -48.604 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.81 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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