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Chemical ID: 4144466
Chemical ID:
4144466
Name [?]:
2-(2,3-dimethylphenoxy)-N-(3,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12-8-9-16(10-14(12)3)19-18(20)11-21-17-7-5-6-13(2)15(17)4/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:21,1,20,8,4,3,5,16,15,19,10,17,2,18,7,14,6,11,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58714 |
Area: | 501.738 |
Solvation: | -3.9563 |
Coulombic: | -28.687 |
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: | 4.21 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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