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Chemical ID: 7325223
Chemical ID:
7325223
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-[1-(4-isobutylphenyl)ethyl]acetamide
SMILES [?]:
CC(C)Cc1ccc(cc1)C(C)NC(=O)COc2ccc(cc2OC)C#N
InChi [?]:
InChI=1/C22H26N2O3/c1-15(2)11-17-5-8-19(9-6-17)16(3)24-22(25)14-27-20-10-7-18(13-23)12-21(20)26-4/h5-10,12,15-16H,11,14H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,12,25,6,10,20,7,9,19,4,22,26,16,2,11,5,21,8,18,23,14,27,13,15,24,17/E:(1,2)(5,6)(8,9)/rA:27cCCCCCCCCCCCCNCOCOCCCCCCOCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.256 |
Area: | 640.144 |
Solvation: | -6.74761 |
Coulombic: | -39.5031 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 366.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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