Chemical ID: 4156233

Cc1cc(c(c(c1)Cl)NC(=O)CCCOc2ccc(cc2)C(C)(C)C)C
Chemical ID:
4156233
Name [?]:
N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
Cc1cc(c(c(c1)Cl)NC(=O)CCCOc2ccc(cc2)C(C)(C)C)C
InChi [?]:
InChI=1/C22H28ClNO2/c1-15-13-16(2)21(19(23)14-15)24-20(25)7-6-12-26-18-10-8-17(9-11-18)22(3,4)5/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,23,24,25,13,12,18,20,17,21,14,3,7,2,4,19,16,6,10,5,22,8,9,11,15/E:(3,4,5)(8,9)(10,11)/rA:26nCCCCCCCClNCOCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28ClNO2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8805
Area:625.199
Solvation:-3.74952
Coulombic:-29.3863
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.916
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.29
LogP (Chemaxon):5.09

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