Chemical ID: 5998771

CC(C)CC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCOCC4
Chemical ID:
5998771
Name [?]:
8-(3-methylbutanoyl)-3-(morpholinocarbonylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CC(C)CC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCOCC4
InChi [?]:
InChI=1/C24H34N4O4/c1-19(2)16-21(29)25-10-8-24(9-11-25)23(31)27(17-22(30)26-12-14-32-15-13-26)18-28(24)20-6-4-3-5-7-20/h3-7,19H,8-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,22,19,23,9,11,8,12,28,32,29,31,4,24,16,2,18,5,25,13,10,7,27,15,17,6,26,14,30/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32cCCCCCONCCCCCCONCNCCCCCCCCONCCOCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s10s16;s17;s18;d19;s20;d21;d18s22;s15;s24;d25;s25;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N4O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.87512
Area:659.056
Solvation:-6.60126
Coulombic:-63.2676
Bond Count [?]
All:35
Single:29
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:442.551
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.65
LogP (Chemaxon):1.12

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