Chemical ID: 5896750

CCN(CC)C(=O)c1cc(ccc1N2CCCCC2)NC(=O)NC3CCCCC3
Chemical ID:
5896750
Name [?]:
5-(cyclohexylcarbamoylamino)-N,N-diethyl-2-(1-piperidyl)benzamide
SMILES [?]:
CCN(CC)C(=O)c1cc(ccc1N2CCCCC2)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-3-26(4-2)22(28)20-17-19(13-14-21(20)27-15-9-6-10-16-27)25-23(29)24-18-11-7-5-8-12-18/h13-14,17-18H,3-12,15-16H2,1-2H3,(H2,24,25,29)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,27,17,26,28,16,18,25,29,11,12,15,19,9,24,10,8,13,6,21,23,20,3,14,7,22/E:(1,2)(3,4)(7,8)(9,10)(11,12)(15,16)/rA:29nCCNCCCOCCCCCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s3;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:0
ZAP Information [?]
Total:12.3129
Area:634.598
Solvation:-3.55205
Coulombic:-58.1124
Bond Count [?]
All:31
Single:26
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.558
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.21
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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