Chemical ID: 5893590

CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)NC3CCCCC3
Chemical ID:
5893590
Name [?]:
5-(cyclohexylcarbamoylamino)-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-3-17(2)24-22(28)20-16-19(12-13-21(20)27-14-8-5-9-15-27)26-23(29)25-18-10-6-4-7-11-18/h12-13,16-18H,3-11,14-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,4,2,27,17,26,28,16,18,25,29,11,12,15,19,9,3,24,10,8,13,6,21,5,23,20,14,7,22/E:(6,7)(8,9)(10,11)(14,15)/rA:29cCCCCNCOCCCCCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H36N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.8272
Area:650.854
Solvation:-3.44413
Coulombic:-62.4276
Bond Count [?]
All:31
Single:26
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.558
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.46
LogP (Chemaxon):4.04

Name Annotations

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Descriptor Annotations

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