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Chemical ID: 5547334
Chemical ID:
5547334
Name [?]:
N-(2-ethoxyphenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2OCC
InChi [?]:
InChI=1/C20H25NO3/c1-4-15(3)16-10-12-17(13-11-16)24-14-20(22)21-18-8-6-7-9-19(18)23-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,4,2,23,18,19,17,20,6,10,7,9,12,3,5,8,16,21,13,15,14,22,11/E:(10,11)(12,13)/rA:24cCCCCCCCCCCOCCONCCCCCCOCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.69912 |
Area: | 574.79 |
Solvation: | -4.67062 |
Coulombic: | -38.0128 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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