Chemical ID: 5890284

CCCCCCC(=O)Nc1ccc(c(c1)C(=O)NC2CCCCC2)N3CCC(CC3)C
Chemical ID:
5890284
Name [?]:
N-[3-(cyclohexylcarbamoyl)-4-(4-methyl-1-piperidyl)-phenyl]heptanamide
SMILES [?]:
CCCCCCC(=O)Nc1ccc(c(c1)C(=O)NC2CCCCC2)N3CCC(CC3)C
InChi [?]:
InChI=1/C26H41N3O2/c1-3-4-5-9-12-25(30)27-22-13-14-24(29-17-15-20(2)16-18-29)23(19-22)26(31)28-21-10-7-6-8-11-21/h13-14,19-21H,3-12,15-18H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,4,22,21,23,5,20,24,6,11,12,27,29,26,30,15,28,19,10,14,13,7,16,9,18,25,8,17/E:(7,8)(10,11)(15,16)(17,18)/rA:31nCCCCCCCONCCCCCCCONCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s19s23;s13;s25;s26;s27;s28;s25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H41N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.0754
Area:711.458
Solvation:-3.71109
Coulombic:-48.7178
Bond Count [?]
All:33
Single:28
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.623
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.62
LogP (Chemaxon):5.38

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Descriptor Annotations

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