Chemical ID: 6412488

Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OCC=C
Chemical ID:
6412488
Name [?]:
N'-[(4-allyloxy-3-methoxy-phenyl)methyleneamino]-N-(3,4-dimethylphenyl)-oxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OCC=C
InChi [?]:
InChI=1/C21H23N3O4/c1-5-10-28-18-9-7-16(12-19(18)27-4)13-22-24-21(26)20(25)23-17-8-6-14(2)15(3)11-17/h5-9,11-13H,1,10H2,2-4H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:28,1,8,24,27,3,18,4,19,26,6,22,16,2,7,17,5,20,21,10,12,15,9,14,11,13,23,25/rA:28nCCCCCCCCNCOCONNCCCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.55628
Area:631.999
Solvation:-6.2437
Coulombic:-59.4824
Bond Count [?]
All:29
Single:19
Double:10
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:381.425
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.08
LogP (Chemaxon):4.15

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