Chemical ID: 6157480

CCC(CC)C(=O)NCc1ccccn1
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

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Descriptor Annotations

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