Chemical ID: 7264818

CCOc1ccc(cc1OCC)NC(=O)c2ccc(cc2)C#N
Chemical ID:
7264818
Name [?]:
4-cyano-N-(3,4-diethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1OCC)NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C18H18N2O3/c1-3-22-16-10-9-15(11-17(16)23-4-2)20-18(21)14-7-5-13(12-19)6-8-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,18,20,17,21,6,5,8,22,19,16,7,4,9,14,23,13,15,3,10/E:(5,6)(7,8)/rA:23nCCOCCCCCCOCCNCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O3
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.27558
Area:550.332
Solvation:-5.48273
Coulombic:-39.1876
Bond Count [?]
All:24
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.347
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.12
LogP (Chemaxon):3.1

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