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Chemical ID: 4331176
Chemical ID:
4331176
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(2,4-dimethylphenyl)-oxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C18H18N2O4/c1-11-3-5-14(12(2)7-11)20-18(22)17(21)19-9-13-4-6-15-16(8-13)24-10-23-15/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,4,18,7,21,15,23,2,6,16,5,19,20,12,10,14,9,13,11,24,22/rA:24nCCCCCCCCNCOCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.156 |
Area: | 549.247 |
Solvation: | -3.57517 |
Coulombic: | -63.4092 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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