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Chemical ID: 6882724
Chemical ID:
6882724
Name [?]:
N-(2,4-dimethylphenyl)-4-(o-tolylcarbamoylmethoxy)benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C
InChi [?]:
InChI=1/C24H24N2O3/c1-16-8-13-22(18(3)14-16)26-24(28)19-9-11-20(12-10-19)29-15-23(27)25-21-7-5-4-6-17(21)2/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,8,26,25,27,24,3,13,17,14,16,4,7,19,2,28,6,12,15,23,5,20,10,22,9,21,11,18/E:(9,10)(11,12)/rA:29nCCCCCCCCNCOCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.904 |
Area: | 641.916 |
Solvation: | -5.14388 |
Coulombic: | -50.3883 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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