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Chemical ID: 6843398
Chemical ID:
6843398
Name [?]:
N-(2,3-dimethylphenyl)-4-(p-tolylcarbamoylmethoxy)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)C
InChi [?]:
InChI=1/C24H24N2O3/c1-16-7-11-20(12-8-16)25-23(27)15-29-21-13-9-19(10-14-21)24(28)26-22-6-4-5-17(2)18(22)3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,24,25,23,3,7,15,17,4,6,14,18,11,2,26,27,16,5,13,22,9,19,8,21,10,20,12/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCNCOCOCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8179 |
Area: | 639.763 |
Solvation: | -5.17614 |
Coulombic: | -50.266 |
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: | 4.75 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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