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Chemical ID: 6943660
Chemical ID:
6943660
Name [?]:
4-benzyloxy-N-(2-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccccc1NC(=O)c2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C22H21NO2/c1-2-18-10-6-7-11-21(18)23-22(24)19-12-14-20(15-13-19)25-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,5,6,21,25,4,7,13,17,14,16,19,20,3,12,15,8,10,9,11,18/E:(4,5)(8,9)(12,13)(14,15)/rA:25nCCCCCCCCNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO2 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8566 |
Area: | 567.106 |
Solvation: | -3.32099 |
Coulombic: | -32.4442 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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