N-[(E)-3-oxo-3-(oxolan-2-ylmethylamino)-1-phenylprop-1-en-2-yl]benzamide

Formula:C21H22N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-oxo-3-(oxolan-2-ylmethylamino)-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-oxo-3-(oxolan-2-ylmethylamino)-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C21H22N2O3
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)NCC1OCCC1
InChI	InChI=1S/C21H22N2O3/c24-20(17-10-5-2-6-11-17)23-19(14-16-8-3-1-4-9-16)21(25)22-15-18-12-7-13-26-18/h1-6,8-11,14,18H,7,12-13,15H2,(H,22,25)(H,23,24)/t18-/m1/s1
InChIK	CHKMIGFFKMVGNX-GOSISDBHSA-N
TotalMolweight	350.417
Molweight	350.417
MonoisotopicMass	350.163043
CLogP	3.0149
CLogS	-4.051
H Acceptors	5
H Donors	2
TotalSurfaceArea	280.19
Relative PSA	0.21057
PolarSurfaceArea	67.43
Druglikeness	2.2319
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
StereoCon	racemate

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