2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(2-phenylethyl)benzamide

Formula:C25H22N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(2-phenylethyl)benzamide is a drug-like molecule.

MolName	2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
MolecularFormula	C25H22N2O4
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cccc1)c1C(NCCc1ccccc1)=O
InChI	InChI=1S/C25H22N2O4/c28-24(13-11-19-10-12-22-23(16-19)31-17-30-22)27-21-9-5-4-8-20(21)25(29)26-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2,(H,26,29)(H,27,28)
InChIK	YNLKOYVTFBPTSF-UHFFFAOYSA-N
TotalMolweight	414.46
Molweight	414.46
MonoisotopicMass	414.157958
CLogP	4.5347
CLogS	-5.649
H Acceptors	6
H Donors	2
TotalSurfaceArea	325.48
Relative PSA	0.21199
PolarSurfaceArea	76.66
Druglikeness	0.22701
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(2-phenylethyl)benzamide | 2 - 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(2-phenylethyl)benzamide

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