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Chemical ID: 4156233
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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