Chemical ID: 4330513

Cc1ccccc1NC(=O)C(=O)NCc2ccc3c(c2)OCO3
Chemical ID:
4330513
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(o-tolyl)oxamide
SMILES [?]:
Cc1ccccc1NC(=O)C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C17H16N2O4/c1-11-4-2-3-5-13(11)19-17(21)16(20)18-9-12-6-7-14-15(8-12)23-10-22-14/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,17,20,14,22,2,15,7,18,19,11,9,13,8,12,10,23,21/rA:23nCCCCCCCNCOCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.58456
Area:523.796
Solvation:-3.51034
Coulombic:-63.6572
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.32
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.15
LogP (Chemaxon):1.96

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