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Chemical ID: 5058600
Chemical ID:
5058600
Name [?]:
N-ethyl-N'-[(2-methoxyphenyl)methyl]oxamide
SMILES [?]:
CCNC(=O)C(=O)NCc1ccccc1OC
InChi [?]:
InChI=1/C12H16N2O3/c1-3-13-11(15)12(16)14-8-9-6-4-5-7-10(9)17-2/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,17,2,12,13,11,14,9,10,15,4,6,3,8,5,7,16/rA:17nCCNCOCONCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13654 |
Area: | 446.271 |
Solvation: | -3.02023 |
Coulombic: | -54.8938 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 236.267 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.94 |
LogP (Chemaxon): | 0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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