CC(COC1=CC2=C(C=C1)OC(NC2=O)(C)C)NCC3=CC=CC=C3
Name: 6-[2-(benzylamino)propoxy]-2,2-dimethyl-3H-1,3-benzoxazin-4-one
SMILES: CC(COC1=CC2=C(C=C1)OC(NC2=O)(C)C)NCC3=CC=CC=C3

Molecular Processing

Molecular formula
C20H24N2O3
Molecular weight
340.42
Exact mass
340.1787
XLogP
3.1
TPSA
59.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
96.85

Supplementary Information

InChIKey: QVBBMOJROPGLFE-UHFFFAOYSA-N
Synonyme
SCHEMBL10716762QVBBMOJROPGLFE-UHFFFAOYSA-N6-(2-benzylaminopropoxy)-2,3-dihydro-2,2-dimethyl-4H-1,3-benzoxazin-4-one
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