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Chemical ID: 4211229
Chemical ID:
4211229
Name [?]:
2-(2,5-dimethylphenoxy)-N-(3,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(c(c2)C)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12-5-6-14(3)17(9-12)21-11-18(20)19-16-8-7-13(2)15(4)10-16/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,3,4,15,14,7,18,9,2,16,5,17,13,6,10,12,11,8/rA:21nCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70369 |
Area: | 505.035 |
Solvation: | -3.92219 |
Coulombic: | -28.699 |
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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