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Chemical ID: 6158407
Chemical ID:
6158407
Name [?]:
3-benzamido-N-benzyl-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(Cc1ccccc1)C(=O)c2cccc(c2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H24N2O2/c1-18(2)26(17-19-10-5-3-6-11-19)24(28)21-14-9-15-22(16-21)25-23(27)20-12-7-4-8-13-20/h3-16,18H,17H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,9,26,8,10,25,27,16,7,11,24,28,15,17,19,5,2,6,23,14,18,21,12,20,4,22,13/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:28nCCCNCCCCCCCCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0606 |
Area: | 557.132 |
Solvation: | -2.86765 |
Coulombic: | -42.6072 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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