Chemical ID: 7325223

CC(C)Cc1ccc(cc1)C(C)NC(=O)COc2ccc(cc2OC)C#N
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

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