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Chemical ID: 7264818
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
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Experimental Annotations
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Descriptor Annotations
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