Chemical ID: 4151404

Cc1ccc(c(c1)OCC(=O)Nc2c(cc(cc2C)C)C)C(C)C
Chemical ID:
4151404
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2c(cc(cc2C)C)C)C(C)C
InChi [?]:
InChI=1/C21H27NO2/c1-13(2)18-8-7-14(3)11-19(18)24-12-20(23)22-21-16(5)9-15(4)10-17(21)6/h7-11,13H,12H2,1-6H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:23,24,1,20,19,21,3,4,17,15,7,9,22,2,16,18,14,5,6,10,13,12,11,8/E:(1,2)(5,6)(9,10)(16,17)/rA:24nCCCCCCCOCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;s5;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.158
Area:564.533
Solvation:-3.95529
Coulombic:-29.2138
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.19
LogP (Chemaxon):4.64

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