Chemical ID: 5907529

CCC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)Cc3cccc(c3)C
Chemical ID:
5907529
Name [?]:
N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)Cc3cccc(c3)C
InChi [?]:
InChI=1/C22H27N3O2/c1-3-21(26)23-19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)16-18-6-4-5-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,23,24,22,7,11,8,10,13,17,14,16,26,20,25,21,6,9,3,18,5,12,15,4,19/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCONCCCCCCNCCNCCCOCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8247
Area:609.221
Solvation:-4.40586
Coulombic:-41.891
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.469
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.14
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