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Chemical ID: 7474126
Chemical ID:
7474126
Name [?]:
N-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc(cc2)c3ccccc3)C
InChi [?]:
InChI=1/C22H21NO2/c1-16-7-6-8-17(2)22(16)23-21(24)15-25-20-13-11-19(12-14-20)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,22,21,23,4,3,5,20,24,15,17,14,18,11,2,6,19,16,13,9,7,8,10,12/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:25nCCCCCCCNCOCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO2 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51201 |
Area: | 560.211 |
Solvation: | -4.49327 |
Coulombic: | -30.3092 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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