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Chemical ID: 4238206
Chemical ID:
4238206
Name [?]:
2-(2-methylphenoxy)-N-(2-tert-butylphenyl)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C19H23NO2/c1-14-9-5-8-12-17(14)22-13-18(21)20-16-11-7-6-10-15(16)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,4,16,15,5,3,17,14,6,9,2,18,13,7,10,19,12,11,8/E:(2,3,4)/rA:22nCCCCCCCOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07846 |
Area: | 509.893 |
Solvation: | -3.66887 |
Coulombic: | -30.5123 |
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: | 4.51 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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