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Chemical ID: 6433097
Chemical ID:
6433097
Name [?]:
2-(2-allylphenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)COc2ccccc2CC=C
InChi [?]:
InChI=1/C20H22N2O4/c1-4-7-16-8-5-6-9-17(16)26-14-20(23)22-21-13-15-10-11-18(24-2)19(12-15)25-3/h4-6,8-13H,1,7,14H2,2-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:26,1,10,25,21,20,24,22,19,5,4,7,11,16,6,23,18,3,8,14,12,13,15,2,9,17/rA:26nCOCCCCCCOCCNNCOCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.15324 |
Area: | 603.398 |
Solvation: | -8.93172 |
Coulombic: | -40.9138 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 354.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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