Chemical ID: 5889364

Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCCCN3CCOCC3)N4CCCC4
Chemical ID:
5889364
Name [?]:
5-(4-methylbenzoyl)amino-N-(3-morpholinopropyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCCCN3CCOCC3)N4CCCC4
InChi [?]:
InChI=1/C26H34N4O3/c1-20-5-7-21(8-6-20)25(31)28-22-9-10-24(30-13-2-3-14-30)23(19-22)26(32)27-11-4-12-29-15-17-33-18-16-29/h5-10,19H,2-4,11-18H2,1H3,(H,27,32)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,31,32,21,3,7,4,6,12,13,20,22,30,33,24,28,25,27,16,2,5,11,15,14,8,17,19,10,23,29,9,18,26/E:(2,3)(5,6)(7,8)(13,14)(15,16)(17,18)/rA:33nCCCCCCCCONCCCCCCCONCCCNCCOCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s14;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34N4O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.404
Area:721.408
Solvation:-5.63118
Coulombic:-61.7082
Bond Count [?]
All:36
Single:28
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.573
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.36
LogP (Chemaxon):2.75

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