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Chemical ID: 4189305
Chemical ID:
4189305
Name [?]:
N-(4-benzamido-3-methyl-phenyl)-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2ccc(c(c2)C)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-3-28-20-12-9-18(10-13-20)22(26)24-19-11-14-21(16(2)15-19)25-23(27)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,19,2,26,25,27,24,28,6,8,14,5,9,15,18,17,23,7,13,4,16,10,21,12,20,11,22,3/E:(5,6)(7,8)(9,10)(12,13)/rA:28nCCOCCCCCCCONCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4641 |
Area: | 618.477 |
Solvation: | -3.99786 |
Coulombic: | -51.9094 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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