Chemical ID: 5680736

c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2
Chemical ID:
5680736
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)acetamide
SMILES [?]:
c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2
InChi [?]:
InChI=1/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)/p+1
InChi Info:
AuxInfo=1/1/N:14,13,15,1,2,12,16,5,10,18,6,3,4,8,7,11,9,19,17/E:(2,3)(6,7)/rA:19nCCCCCCNCOCN+CCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s17;s3s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N2O3+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-22.15
Area:442.617
Solvation:-33.2154
Coulombic:-4.89307
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:263.312
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.42
LogP (Chemaxon):1.64

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