Chemical ID: 5890058

CC(C)CNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)c4cccc(c4)OC
Chemical ID:
5890058
Name [?]:
N-isobutyl-5-(3-methoxybenzoyl)amino-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C30H36N4O4/c1-21(2)20-31-30(36)25-19-23(32-29(35)22-8-7-9-24(18-22)37-3)12-13-26(25)33-14-16-34(17-15-33)27-10-5-6-11-28(27)38-4/h5-13,18-19,21H,14-17,20H2,1-4H3,(H,31,36)(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,3,38,27,22,23,33,32,34,21,24,11,12,15,19,16,18,36,9,4,2,31,10,35,8,13,20,25,29,6,5,28,14,17,30,7,37,26/E:(1,2)(14,15)(16,17)/rA:38nCCCCNCOCCCCCCNCCNCCCCCCCCOCNCOCCCCCCOC/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;s31;d32;s33;d34;d31s35;s35;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H36N4O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:12.303
Area:799.352
Solvation:-7.68079
Coulombic:-69.9613
Bond Count [?]
All:41
Single:30
Double:11
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:516.631
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.33
LogP (Chemaxon):4.93

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