Chemical ID: 5891808

CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)C(CC)c3ccccc3
Chemical ID:
5891808
Name [?]:
5-(2-phenylbutanoylamino)-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)C(CC)c3ccccc3
InChi [?]:
InChI=1/C26H35N3O2/c1-4-19(3)27-26(31)23-18-21(14-15-24(23)29-16-10-7-11-17-29)28-25(30)22(5-2)20-12-8-6-9-13-20/h6,8-9,12-15,18-19,22H,4-5,7,10-11,16-17H2,1-3H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,25,4,2,24,29,17,28,30,16,18,27,31,11,12,15,19,9,3,26,10,23,8,13,21,6,5,20,14,22,7/E:(8,9)(10,11)(12,13)(16,17)/rA:31cCCCCNCOCCCCCCNCCCCCNCOCCCCCCCCC/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;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H35N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:13.0407
Area:679.727
Solvation:-3.95248
Coulombic:-49.5828
Bond Count [?]
All:33
Single:25
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:421.575
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.31
LogP (Chemaxon):5.28

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