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Chemical ID: 7503942
Chemical ID:
7503942
Name [?]:
3-ethoxy-N-(4-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2cccc(c2)OCC
InChi [?]:
InChI=1/C17H19NO3/c1-3-20-15-10-8-14(9-11-15)18-17(19)13-6-5-7-16(12-13)21-4-2/h5-12H,3-4H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,15,14,16,6,8,5,9,18,13,7,4,17,11,10,12,3,19/E:(8,9)(10,11)/rA:21nCCOCCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32107 |
Area: | 508.412 |
Solvation: | -4.38924 |
Coulombic: | -36.4505 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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