Chemical ID: 5998692

CCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCC4
Chemical ID:
5998692
Name [?]:
8-pentanoyl-1-phenyl-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCC4
InChi [?]:
InChI=1/C24H34N4O3/c1-2-3-11-21(29)26-16-12-24(13-17-26)23(31)27(18-22(30)25-14-7-8-15-25)19-28(24)20-9-5-4-6-10-20/h4-6,9-10H,2-3,7-8,11-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,20,22,29,30,19,23,4,9,11,28,31,8,12,24,16,18,5,25,13,10,27,7,15,17,6,26,14/E:(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)/rA:31cCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;s2;s3;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;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.2774
Area:658.295
Solvation:-5.17997
Coulombic:-55.7537
Bond Count [?]
All:34
Single:28
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.552
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.62
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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