Chemical ID: 6128343

CCCCC(C(=O)Nc1ccc(c(c1)OC)OC)[NH+](CC)CC
Chemical ID:
6128343
Name [?]:
1-[(3,4-dimethoxyphenyl)carbamoyl]pentyl-diethyl-ammonium
SMILES [?]:
CCCCC(C(=O)Nc1ccc(c(c1)OC)OC)[NH+](CC)CC
InChi [?]:
InChI=1/C18H30N2O3/c1-6-9-10-15(20(7-2)8-3)18(21)19-14-11-12-16(22-4)17(13-14)23-5/h11-13,15H,6-10H2,1-5H3,(H,19,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,21,23,18,16,2,20,22,3,4,10,11,14,9,5,12,13,6,8,19,7,17,15/E:(2,3)(7,8)/rA:23cCCCCCCONCCCCCCOCOCN+CCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s5;s19;s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31N2O3+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-20.4539
Area:550.682
Solvation:-34.2209
Coulombic:-3.21997
Bond Count [?]
All:23
Single:19
Double:4
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:323.45
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.23
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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