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Chemical ID: 4153808
Chemical ID:
4153808
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CCCOc2ccc(cc2)C(C)(C)C)C
InChi [?]:
InChI=1/C23H31NO2/c1-6-18-10-7-9-17(2)22(18)24-21(25)11-8-16-26-20-14-12-19(13-15-20)23(3,4)5/h7,9-10,12-15H,6,8,11,16H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,23,24,25,2,5,13,6,4,12,18,20,17,21,14,7,3,19,16,10,8,22,9,11,15/E:(3,4,5)(12,13)(14,15)/rA:26nCCCCCCCCNCOCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4947 |
Area: | 608.511 |
Solvation: | -3.71808 |
Coulombic: | -29.2731 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 353.498 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.92 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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