Chemical ID: 5039447

CC1CC(C(=NNC(=O)N)C(C1)C(CC2CCC(=O)NC2=O)O)C
Chemical ID:
5039447
Name [?]:
[2-[2-(2,6-dioxo-3-piperidyl)-1-hydroxy-ethyl]-4,6-dimethyl-cyclohexylidene]aminourea
SMILES [?]:
CC1CC(C(=NNC(=O)N)C(C1)C(CC2CCC(=O)NC2=O)O)C
InChi [?]:
InChI=1/C16H26N4O4/c1-8-5-9(2)14(19-20-16(17)24)11(6-8)12(21)7-10-3-4-13(22)18-15(10)23/h8-12,21H,3-7H2,1-2H3,(H3,17,20,24)(H,18,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,3,12,14,2,4,15,11,13,18,5,21,8,10,20,6,7,23,19,22,9/rA:24cCCCCCNNCONCCCCCCCCONCOOC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;s5;s2s11;s11;s13;s14;s15;s16;s17;d18;s18;s15s20;d21;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N4O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:5
ZAP Information [?]
Total:8.5736
Area:535.572
Solvation:-4.8157
Coulombic:-80.8854
Bond Count [?]
All:25
Single:21
Double:4
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:338.402
H-Bond Donors:5
H-Bond Acceptors:8
XLogP:0.01
LogP (Chemaxon):0.97

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Descriptor Annotations

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