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Chemical ID: 7325218
Chemical ID:
7325218
Name [?]:
2-(3-cyanophenoxy)-N-[1-(4-isobutylphenyl)ethyl]acetamide
SMILES [?]:
CC(C)Cc1ccc(cc1)C(C)NC(=O)COc2cccc(c2)C#N
InChi [?]:
InChI=1/C21H24N2O2/c1-15(2)11-17-7-9-19(10-8-17)16(3)23-21(24)14-25-20-6-4-5-18(12-20)13-22/h4-10,12,15-16H,11,14H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,12,20,21,19,6,10,7,9,4,23,24,16,2,11,5,22,8,18,14,25,13,15,17/E:(1,2)(7,8)(9,10)/rA:25cCCCCCCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O2 |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7159 |
Area: | 604.07 |
Solvation: | -4.38581 |
Coulombic: | -33.9775 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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