CCCCCCCCN1C(=O)CC(C)(C)c2cc(C(C)=O)ccc21
Name: N-octyl-6-acetyl-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILES: CCCCCCCCN1C(=O)CC(C)(C)c2cc(C(C)=O)ccc21

Molecular Processing

Molecular formula
C21H31NO2
Molecular weight
329.48
Exact mass
329.2355
XLogP
5.26
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
99.82

Supplementary Information

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