Chemical ID: 7325218

CC(C)Cc1ccc(cc1)C(C)NC(=O)COc2cccc(c2)C#N
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

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