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Chemical ID: 6988884
Chemical ID:
6988884
Name [?]:
N-(m-tolyl)-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)COc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C19H23NO2/c1-14-6-5-7-16(12-14)20-18(21)13-22-17-10-8-15(9-11-17)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,4,3,5,15,17,14,18,7,11,2,16,6,13,9,19,8,10,12/E:(2,3,4)(8,9)(10,11)/rA:22nCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16993 |
Area: | 524.892 |
Solvation: | -3.95238 |
Coulombic: | -29.9005 |
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: | 4.93 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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