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Chemical ID: 7261622
Chemical ID:
7261622
Name [?]:
4-butyl-N-(3,4,5-trimethoxyphenyl)-cyclohexane-1-carboxamide
SMILES [?]:
CCCCC1CCC(CC1)C(=O)Nc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H31NO4/c1-5-6-7-14-8-10-15(11-9-14)20(22)21-16-12-17(23-2)19(25-4)18(13-16)24-3/h12-15H,5-11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,25,23,2,3,4,6,10,7,9,19,15,5,8,14,18,16,17,11,13,12,20,24,22/E:(2,3)(8,9)(10,11)(12,13)(17,18)(23,24)/rA:25nCCCCCCCCCCCONCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s16;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H31NO4 |
All Atoms: | 56 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84424 |
Area: | 588.326 |
Solvation: | -5.8639 |
Coulombic: | -43.0826 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 349.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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