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Chemical ID: 4149694
Chemical ID:
4149694
Name [?]:
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2cc(ccc2OC)OC)C
InChi [?]:
InChI=1/C18H21NO4/c1-12-6-5-7-13(2)18(12)23-11-17(20)19-15-10-14(21-3)8-9-16(15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,22,20,4,3,5,16,17,14,9,2,6,15,13,18,10,7,12,11,21,19,8/E:(1,2)(6,7)(12,13)/rA:23nCCCCCCCOCCONCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20251 |
Area: | 531.206 |
Solvation: | -6.07763 |
Coulombic: | -42.9601 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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