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Chemical ID: 4221846
Chemical ID:
4221846
Name [?]:
N'-(2-furylmethyl)-N-(3-methoxyphenyl)-oxamide
SMILES [?]:
COc1cccc(c1)NC(=O)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C14H14N2O4/c1-19-11-5-2-4-10(8-11)16-14(18)13(17)15-9-12-6-3-7-20-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,18,6,4,17,19,8,15,7,3,16,12,10,14,9,13,11,2,20/rA:20nCOCCCCCCNCOCONCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63039 |
Area: | 483.188 |
Solvation: | -4.4493 |
Coulombic: | -59.6875 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 274.272 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.78 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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