Chemical ID: 5998722

CC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCC4
Chemical ID:
5998722
Name [?]:
8-(2,2-dimethylpropanoyl)-1-phenyl-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCC4
InChi [?]:
InChI=1/C24H34N4O3/c1-23(2,3)21(30)26-15-11-24(12-16-26)22(31)27(17-20(29)25-13-7-8-14-25)18-28(24)19-9-5-4-6-10-19/h4-6,9-10H,7-8,11-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,20,22,29,30,19,23,9,11,28,31,8,12,24,16,18,25,5,13,2,10,27,7,15,17,26,6,14/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:31cCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;s2;s2;s2;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;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.6373
Area:628.028
Solvation:-5.06339
Coulombic:-56.3076
Bond Count [?]
All:34
Single:28
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:426.552
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.98
LogP (Chemaxon):2.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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