Chemical ID: 3948627

CCc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccccc3
Chemical ID:
3948627
Name [?]:
2-(4-benzoyl-1-piperidyl)-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C22H26N2O2/c1-2-17-8-10-20(11-9-17)23-21(25)16-24-14-12-19(13-15-24)22(26)18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,22,26,4,8,5,7,15,17,14,18,12,3,21,16,6,10,19,9,13,11,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCNCOCNCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5051
Area:591.525
Solvation:-4.283
Coulombic:-34.6707
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.454
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.56
LogP (Chemaxon):3.68

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