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Chemical ID: 4215782
Chemical ID:
4215782
Name [?]:
N-[4-[3-(4-acetamidophenoxy)phenoxy]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)Oc2cccc(c2)Oc3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C22H20N2O4/c1-15(25)23-17-6-10-19(11-7-17)27-21-4-3-5-22(14-21)28-20-12-8-18(9-13-20)24-16(2)26/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,14,13,15,6,10,21,23,7,9,20,24,17,2,26,5,22,8,19,12,16,4,25,3,27,11,18/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCONCCCCCCOCCCCCCOCCCCCCNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98414 |
Area: | 599.781 |
Solvation: | -5.01038 |
Coulombic: | -53.716 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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