Chemical ID: 6886260

CCOc1ccc(cc1OC)C=CC(=O)Nc2ccc(c(c2)OC)OC
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

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Descriptor Annotations

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