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Chemical ID: 4194537
Chemical ID:
4194537
Name [?]:
N'-(2-furylmethyl)-N-(4-isopropylphenyl)-oxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C16H18N2O3/c1-11(2)12-5-7-13(8-6-12)18-16(20)15(19)17-10-14-4-3-9-21-14/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,5,9,6,8,20,16,2,4,7,17,13,11,15,10,14,12,21/E:(1,2)(5,6)(7,8)/rA:21nCCCCCCCCCNCOCONCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83616 |
Area: | 512.152 |
Solvation: | -2.96765 |
Coulombic: | -54.0091 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 286.326 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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