Chemical ID: 5068834

Cc1cc(c(c(c1)C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)C
Chemical ID:
5068834
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(2,4,6-trimethylphenyl)-oxamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)C
InChi [?]:
InChI=1/C19H20N2O4/c1-11-6-12(2)17(13(3)7-11)21-19(23)18(22)20-9-14-4-5-15-16(8-14)25-10-24-15/h4-8H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,25,17,18,7,3,21,15,23,2,6,4,16,19,20,5,12,10,14,9,13,11,24,22/E:(2,3)(6,7)(12,13)/rA:25nCCCCCCCCNCOCONCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3535
Area:560.48
Solvation:-3.65854
Coulombic:-63.1192
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.373
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.81
LogP (Chemaxon):2.24

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Descriptor Annotations

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