(E)-3-(furan-2-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]prop-2-enamide

Formula:C14H18N2O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-(furan-2-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]prop-2-enamide
MolecularFormulaC14H18N2O4
SmilesO=C(CNC(/C=C/c1ccco1)=O)NCC1OCCC1
InChIInChI=1S/C14H18N2O4/c17-13(6-5-11-3-1-7-19-11)16-10-14(18)15-9-12-4-2-8-20-12/h1,3,5-7,12H,2,4,8-10H2,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKRTVQZCKPLXVZLE-GFCCVEGCSA-N
TotalMolweight278.307
Molweight278.307
MonoisotopicMass278.126658
CLogP-2.00E-04
CLogS-2.125
H Acceptors6
H Donors2
TotalSurfaceArea225.67
Relative PSA0.32397
PolarSurfaceArea80.57
Druglikeness-0.2575
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7
Fragments1
Non HAtoms20
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms5
Sp3Atoms7
Amides2
StereoConracemate

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