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Chemical ID: 6157480
Chemical ID:
6157480
Name [?]:
2-ethyl-N-(2-pyridylmethyl)butanamide
SMILES [?]:
CCC(CC)C(=O)NCc1ccccn1
InChi [?]:
InChI=1/C12H18N2O/c1-3-10(4-2)12(15)14-9-11-7-5-6-8-13-11/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,13,11,14,9,3,10,6,15,8,7/E:(1,2)(3,4)/rA:15nCCCCCCONCCCCCCN/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03751 |
Area: | 410.226 |
Solvation: | -2.21813 |
Coulombic: | -26.5048 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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