CCOC1=C(C=CN=C1C)NC2CCC(=O)CC2
Name: 4-[(3-ethoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one
SMILES: CCOC1=C(C=CN=C1C)NC2CCC(=O)CC2

Molecular Processing

Molecular formula
C14H20N2O2
Molecular weight
248.33
Exact mass
248.1525
XLogP
2.71
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
71.03

Supplementary Information

InChIKey: ZOSYXLZCNRQDHG-UHFFFAOYSA-N
Synonyme
SCHEMBL8710755ZOSYXLZCNRQDHG-UHFFFAOYSA-N4-(4-oxocyclohexylamino)-3-ethoxy-2-methylpyridine
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