Chemical ID: 6970557

Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC)C(C)C
Chemical ID:
6970557
Name [?]:
N-[(3,4-dimethoxyphenyl)methyleneamino]-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC)C(C)C
InChi [?]:
InChI=1/C21H26N2O4/c1-14(2)17-8-6-15(3)10-19(17)27-13-21(24)23-22-12-16-7-9-18(25-4)20(11-16)26-5/h6-12,14H,13H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:26,27,1,24,22,3,16,4,17,7,20,14,9,25,2,15,5,18,6,19,10,13,12,11,23,21,8/E:(1,2)/rA:27nCCCCCCCOCCONNCCCCCCCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s5;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O4
All Atoms:53
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.9383
Area:633.647
Solvation:-8.90288
Coulombic:-39.7278
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:370.442
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.87
LogP (Chemaxon):4.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue