Chemical ID: 5892035

CCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
Chemical ID:
5892035
Name [?]:
5-(4-pentylbenzoyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
InChi [?]:
InChI=1/C30H36N4O2/c1-2-3-5-9-23-11-13-25(14-12-23)29(35)33-26-15-16-28(34-18-6-4-7-19-34)27(20-26)30(36)32-22-24-10-8-17-31-21-24/h8,10-17,20-21H,2-7,9,18-19,22H2,1H3,(H,32,36)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,2,3,34,4,33,35,27,5,26,7,11,8,10,16,17,28,32,36,20,30,24,6,25,9,15,19,18,12,21,29,23,14,31,13,22/E:(6,7)(11,12)(13,14)(18,19)/rA:36nCCCCCCCCCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s18;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H36N4O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:15.2458
Area:789.577
Solvation:-4.49361
Coulombic:-55.2747
Bond Count [?]
All:39
Single:28
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:484.633
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.54
LogP (Chemaxon):5.5

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