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Chemical ID: 6933563
Chemical ID:
6933563
Name [?]:
N-ethyl-2-methyl-N-(4-pyridylmethyl)propanamide
SMILES [?]:
CCN(Cc1ccncc1)C(=O)C(C)C
InChi [?]:
InChI=1/C12H18N2O/c1-4-14(12(15)10(2)3)9-11-5-7-13-8-6-11/h5-8,10H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,2,6,10,7,9,4,13,5,11,8,3,12/E:(2,3)(5,6)(7,8)/rA:15nCCNCCCCNCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 33 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3912 |
Area: | 389.793 |
Solvation: | -2.35364 |
Coulombic: | -20.8197 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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