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Chemical ID: 6884147
Chemical ID:
6884147
Name [?]:
N-(4-butylphenyl)-4-(o-tolylcarbamoylmethoxy)benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C
InChi [?]:
InChI=1/C26H28N2O3/c1-3-4-8-20-10-14-22(15-11-20)27-26(30)21-12-16-23(17-13-21)31-18-25(29)28-24-9-6-5-7-19(24)2/h5-7,9-17H,3-4,8,18H2,1-2H3,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,28,27,29,4,26,6,10,15,19,7,9,16,18,21,30,5,14,8,17,25,22,12,11,24,23,13,20/E:(10,11)(12,13)(14,15)(16,17)/rA:31nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3634 |
Area: | 701.146 |
Solvation: | -5.16523 |
Coulombic: | -51.4948 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.512 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.91 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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