Chemical ID: 6492849

C1CCC[NH+](CC1)CC(=O)N(C2CCCCC2)C3CCCCC3
Chemical ID:
6492849
Name [?]:
2-(1-azoniacyclohept-1-yl)-N,N-dicyclohexyl-acetamide
SMILES [?]:
C1CCC[NH+](CC1)CC(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C20H36N2O/c23-20(17-21-15-9-1-2-10-16-21)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h18-19H,1-17H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,15,21,14,16,20,22,7,3,13,17,19,23,6,4,8,12,18,9,5,11,10/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(18,19)/rA:23nCCCCN+CCCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H37N2O+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-16.0492
Area:511.459
Solvation:-28.8357
Coulombic:10.9229
Bond Count [?]
All:25
Single:24
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.521
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.26
LogP (Chemaxon):3.62

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Descriptor Annotations

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