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Chemical ID: 4193052
Chemical ID:
4193052
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-isopropyl-oxamide
SMILES [?]:
CC(C)NC(=O)C(=O)NCc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C13H16N2O4/c1-8(2)15-13(17)12(16)14-6-9-3-4-10-11(5-9)19-7-18-10/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,16,10,18,2,11,14,15,7,5,9,4,8,6,19,17/E:(1,2)/rA:19nCCCNCOCONCCCCCCCOCO/rB:s1;s2;s2;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4688 |
Area: | 471.041 |
Solvation: | -3.30722 |
Coulombic: | -63.3969 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 264.277 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.24 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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