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Chemical ID: 4159949
Chemical ID:
4159949
Name [?]:
N-(3,4-dimethylphenyl)-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-4-15-6-5-7-17(11-15)21-12-18(20)19-16-9-8-13(2)14(3)10-16/h5-11H,4,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,2,5,4,6,16,15,19,8,10,17,18,3,14,7,11,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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: | 8.7733 |
Area: | 509.867 |
Solvation: | -3.97338 |
Coulombic: | -29.1204 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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