Chemical ID: 6486949

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)OCC=C
Chemical ID:
6486949
Name [?]:
N'-[(4-allyloxyphenyl)methyleneamino]-N-(4-ethoxyphenyl)-oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)OCC=C
InChi [?]:
InChI=1/C20H21N3O4/c1-3-13-27-18-9-5-15(6-10-18)14-21-23-20(25)19(24)22-16-7-11-17(12-8-16)26-4-2/h3,5-12,14H,1,4,13H2,2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:27,1,26,2,19,23,6,8,20,22,5,9,25,17,18,7,4,21,11,13,16,10,15,12,14,3,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCOCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3593
Area:623.589
Solvation:-5.23037
Coulombic:-60.3611
Bond Count [?]
All:28
Single:18
Double:10
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:367.399
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.89
LogP (Chemaxon):3.56

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Descriptor Annotations

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