Chemical ID: 5890025

CC(C)CNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C
Chemical ID:
5890025
Name [?]:
5-acetamido-N-isobutyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C
InChi [?]:
InChI=1/C24H32N4O3/c1-17(2)16-25-24(30)20-15-19(26-18(3)29)9-10-21(20)27-11-13-28(14-12-27)22-7-5-6-8-23(22)31-4/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,30)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,27,22,23,21,24,11,12,15,19,16,18,9,4,2,29,10,8,13,20,25,6,5,28,14,17,30,7,26/E:(1,2)(11,12)(13,14)/rA:31nCCCCNCOCCCCCCNCCNCCCCCCCCOCNCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s25;s26;s10;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.6257
Area:678.781
Solvation:-6.34386
Coulombic:-60.1495
Bond Count [?]
All:33
Single:25
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.536
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.69
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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