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Chemical ID: 6965211
Chemical ID:
6965211
Name [?]:
2-(3-methylphenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2c(cc(cc2C)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12-6-5-7-16(10-12)21-11-17(20)19-18-14(3)8-13(2)9-15(18)4/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,4,3,5,17,15,7,9,2,16,18,14,6,10,13,12,11,8/E:(3,4)(8,9)(14,15)/rA:21nCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49246 |
Area: | 501.079 |
Solvation: | -4.03452 |
Coulombic: | -28.5624 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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