Chemical ID: 5889610

CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)C)NC(=O)NC3CCCCC3
Chemical ID:
5889610
Name [?]:
5-(cyclohexylcarbamoylamino)-N-isopropyl-2-(4-methyl-1-piperidyl)-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)C)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-16(2)24-22(28)20-15-19(26-23(29)25-18-7-5-4-6-8-18)9-10-21(20)27-13-11-17(3)12-14-27/h9-10,15-18H,4-8,11-14H2,1-3H3,(H,24,28)(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:18,19,1,27,26,28,25,29,10,9,3,7,4,6,12,17,2,24,11,13,8,14,21,16,23,20,5,15,22/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:29nCCCCNCCCCCCCCCONCCCNCONCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s17;s11;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:12.8412
Area:652.384
Solvation:-3.46845
Coulombic:-62.3302
Bond Count [?]
All:31
Single:26
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.558
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.61
LogP (Chemaxon):3.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue