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Chemical ID: 6875902
Chemical ID:
6875902
Name [?]:
N-(4-butylphenyl)-4-(p-tolylcarbamoylmethoxy)benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)C
InChi [?]:
InChI=1/C26H28N2O3/c1-3-4-5-20-8-14-23(15-9-20)28-26(30)21-10-16-24(17-11-21)31-18-25(29)27-22-12-6-19(2)7-13-22/h6-17H,3-5,18H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,4,27,29,6,10,15,19,26,30,7,9,16,18,21,28,5,14,25,8,17,22,12,24,11,23,13,20/E:(6,7)(8,9)(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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4449 |
Area: | 705.198 |
Solvation: | -5.18505 |
Coulombic: | -51.2638 |
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: | 6.12 |
LogP (Chemaxon): | 6.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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