Chemical ID: 6821954

Cc1cc(cc(c1)OCC(=O)NCCC[NH+]2CCOCC2)C
Chemical ID:
6821954
Name [?]:
2-(3,5-dimethylphenoxy)-N-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)NCCC[NH+]2CCOCC2)C
InChi [?]:
InChI=1/C17H26N2O3/c1-14-10-15(2)12-16(11-14)22-13-17(20)18-4-3-5-19-6-8-21-9-7-19/h10-12H,3-9,13H2,1-2H3,(H,18,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,14,13,15,17,21,18,20,3,7,5,9,2,4,6,10,12,16,11,19,8/E:(1,2)(6,7)(8,9)(11,12)(14,15)/rA:22nCCCCCCCOCCONCCCN+CCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N2O3+
All Atoms:49
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-23.5505
Area:551.289
Solvation:-37.3327
Coulombic:-3.00445
Bond Count [?]
All:23
Single:19
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:307.408
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.79
LogP (Chemaxon):1.34

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Descriptor Annotations

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