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Chemical ID: 7093108
Chemical ID:
7093108
Name [?]:
N'-cyclohexyl-N-(4-pyridylmethyl)oxamide
SMILES [?]:
c1cnccc1CNC(=O)C(=O)NC2CCCCC2
InChi [?]:
InChI=1/C14H19N3O2/c18-13(16-10-11-6-8-15-9-7-11)14(19)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:17,16,18,15,19,1,5,2,4,7,6,14,9,11,3,8,13,10,12/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCNCCCCNCOCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O2 |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52211 |
Area: | 475.745 |
Solvation: | -2.37151 |
Coulombic: | -51.8861 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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