Chemical ID: 7261622

CCCCC1CCC(CC1)C(=O)Nc2cc(c(c(c2)OC)OC)OC
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

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Descriptor Annotations

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