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Chemical ID: 4324399
Chemical ID:
4324399
Name [?]:
N-(2,5-dimethoxyphenyl)-2-(2,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C18H21NO4/c1-12-5-7-16(13(2)9-12)23-11-18(20)19-15-10-14(21-3)6-8-17(15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,23,21,3,17,4,18,7,15,10,2,6,16,14,5,19,11,13,12,22,20,9/rA:23nCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08283 |
Area: | 536.503 |
Solvation: | -6.32974 |
Coulombic: | -42.3505 |
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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