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Chemical ID: 4158083
Chemical ID:
4158083
Name [?]:
N-(4-butoxyphenyl)-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCCCOc1ccc(cc1)NC(=O)COc2ccccc2CC
InChi [?]:
InChI=1/C20H25NO3/c1-3-5-14-23-18-12-10-17(11-13-18)21-20(22)15-24-19-9-7-6-8-16(19)4-2/h6-13H,3-5,14-15H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,3,20,19,21,18,8,10,7,11,4,15,22,9,6,17,13,12,14,5,16/E:(10,11)(12,13)/rA:24nCCCCOCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61799 |
Area: | 581.955 |
Solvation: | -4.93088 |
Coulombic: | -37.0524 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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