Chemical ID: 6797159

Cc1ccc(cc1)CNC(=O)CCNC(=O)c2ccc3c(c2)OCO3
Chemical ID:
6797159
Name [?]:
N-[2-(p-tolylmethylcarbamoyl)ethyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)CCNC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C19H20N2O4/c1-13-2-4-14(5-3-13)11-21-18(22)8-9-20-19(23)15-6-7-16-17(10-15)25-12-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,18,19,12,13,22,8,24,2,5,17,20,21,10,15,14,9,11,16,25,23/E:(2,3)(4,5)/rA:25nCCCCCCCCNCOCCNCOCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O4
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.80407
Area:587.163
Solvation:-4.87502
Coulombic:-58.4731
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.373
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.66
LogP (Chemaxon):1.98

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