Chemical ID: 4193844

CCN(CC)C(=O)c1ccc2c(c1)OCO2
Chemical ID:
4193844
Name [?]:
N,N-diethylbenzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C12H15NO3/c1-3-13(4-2)12(14)9-5-6-10-11(7-9)16-8-15-10/h5-7H,3-4,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,10,13,15,8,11,12,6,3,7,16,14/E:(1,2)(3,4)/rA:16nCCNCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.73441
Area:393.204
Solvation:-3.09569
Coulombic:-33.455
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.17
LogP (Chemaxon):1.56

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Descriptor Annotations

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