Chemical ID: 5623441

Cc1ccc(cc1C)OCC(=O)Nc2ccccc2C(C)C
Chemical ID:
5623441
Name [?]:
2-(3,4-dimethylphenoxy)-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C19H23NO2/c1-13(2)17-7-5-6-8-18(17)20-19(21)12-22-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,8,17,16,18,15,3,4,6,10,20,2,7,5,19,14,11,13,12,9/E:(1,2)/rA:22nCCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.2373
Area:526.629
Solvation:-3.92843
Coulombic:-29.6271
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):4.35

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Experimental Annotations

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Descriptor Annotations

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