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Chemical ID: 7503930
Chemical ID:
7503930
Name [?]:
3-ethoxy-N-ethyl-N-phenyl-benzamide
SMILES [?]:
CCN(c1ccccc1)C(=O)c2cccc(c2)OCC
InChi [?]:
InChI=1/C17H19NO2/c1-3-18(15-10-6-5-7-11-15)17(19)14-9-8-12-16(13-14)20-4-2/h5-13H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,7,6,8,14,13,5,9,15,17,12,4,16,10,3,11,18/E:(6,7)(10,11)/rA:20nCCNCCCCCCCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6272 |
Area: | 464.952 |
Solvation: | -2.9966 |
Coulombic: | -26.3106 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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