Chemical ID: 5889136

CCCCC(CC)C(=O)Nc1ccc(c(c1)C(=O)N2CCCCC2)N3CCC(CC3)C
Chemical ID:
5889136
Name [?]:
2-ethyl-N-[4-(4-methyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(c(c1)C(=O)N2CCCCC2)N3CCC(CC3)C
InChi [?]:
InChI=1/C26H41N3O2/c1-4-6-10-21(5-2)25(30)27-22-11-12-24(28-17-13-20(3)14-18-28)23(19-22)26(31)29-15-8-7-9-16-29/h11-12,19-21H,4-10,13-18H2,1-3H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,7,31,2,6,3,22,21,23,4,12,13,27,29,20,24,26,30,16,28,5,11,15,14,8,17,10,25,19,9,18/E:(8,9)(13,14)(15,16)(17,18)/rA:31cCCCCCCCCONCCCCCCCONCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s19s23;s14;s25;s26;s27;s28;s25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H41N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.8534
Area:694.036
Solvation:-3.49745
Coulombic:-44.891
Bond Count [?]
All:33
Single:28
Double:5
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.623
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.09
LogP (Chemaxon):5.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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