Chemical ID: 5547334

CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2OCC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue