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Chemical ID: 4209909
Chemical ID:
4209909
Name [?]:
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2cc(ccc2OC)OC)C
InChi [?]:
InChI=1/C18H21NO4/c1-12-5-6-13(2)17(9-12)23-11-18(20)19-15-10-14(21-3)7-8-16(15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,22,20,3,4,16,17,7,14,9,2,5,15,13,18,6,10,12,11,21,19,8/rA:23nCCCCCCCOCCONCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09247 |
Area: | 536.181 |
Solvation: | -6.31207 |
Coulombic: | -42.3921 |
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: | 3.17 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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