Chemical ID: 4183724

CC1CCCC(N1C(=O)C(C)N2C(=O)c3ccccc3C2=O)C
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

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