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Chemical ID: 4183724
Chemical ID:
4183724
Name [?]:
2-[1-[(2,6-dimethyl-1-piperidyl)carbonyl]ethyl]isoindoline-1,3-dione
SMILES [?]:
CC1CCCC(N1C(=O)C(C)N2C(=O)c3ccccc3C2=O)C
InChi [?]:
InChI=1/C18H22N2O3/c1-11-7-6-8-12(2)19(11)16(21)13(3)20-17(22)14-9-4-5-10-15(14)18(20)23/h4-5,9-13H,6-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,11,17,18,4,3,5,16,19,2,6,10,15,20,8,13,21,7,12,9,14,22/E:(1,2)(4,5)(7,8)(9,10)(11,12)(14,15)(17,18)(22,23)/rA:23cCCCCCCNCOCCNCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;d21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.00517 |
Area: | 479.328 |
Solvation: | -2.97802 |
Coulombic: | -43.5305 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.379 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.76 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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