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Chemical ID: 5852526
Chemical ID:
5852526
Name [?]:
N'-benzyl-N-(2-methoxyethyl)oxamide
SMILES [?]:
COCCNC(=O)C(=O)NCc1ccccc1
InChi [?]:
InChI=1/C12H16N2O3/c1-17-8-7-13-11(15)12(16)14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,4,3,11,12,6,8,5,10,7,9,2/E:(3,4)(5,6)/rA:17nCOCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0232 |
Area: | 456.964 |
Solvation: | -3.40091 |
Coulombic: | -55.6773 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 236.267 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.41 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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