Chemical ID: 5892044

CCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
Chemical ID:
5892044
Name [?]:
5-(4-ethylbenzoyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
InChi [?]:
InChI=1/C27H30N4O2/c1-2-20-8-10-22(11-9-20)26(32)30-23-12-13-25(31-15-4-3-5-16-31)24(17-23)27(33)29-19-21-7-6-14-28-18-21/h6-14,17-18H,2-5,15-16,19H2,1H3,(H,29,33)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,2,31,30,32,24,23,4,8,5,7,13,14,25,29,33,17,27,21,3,22,6,12,16,15,9,18,26,20,11,28,10,19/E:(4,5)(8,9)(10,11)(15,16)/rA:33nCCCCCCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s15;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.2266
Area:708.882
Solvation:-4.49542
Coulombic:-54.3255
Bond Count [?]
All:36
Single:25
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:442.553
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.83
LogP (Chemaxon):4.31

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