(E)-N,N-dicyclohexyl-3-naphthalen-1-ylprop-2-enamide

Formula:C25H31NO Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N,N-dicyclohexyl-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.

MolName(E)-N,N-dicyclohexyl-3-naphthalen-1-ylprop-2-enamide
MolecularFormulaC25H31NO
SmilesO=C(/C=C/c1cccc2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H31NO/c27-25(19-18-21-12-9-11-20-10-7-8-17-24(20)21)26(22-13-3-1-4-14-22)23-15-5-2-6-16-23/h7-12,17-19,22-23H,1-6,13-16H2
InChIKQJAAIVDMBDZPLL-UHFFFAOYSA-N
TotalMolweight361.527
Molweight361.527
MonoisotopicMass361.240564
CLogP5.9999
CLogS-6.383
H Acceptors2
TotalSurfaceArea298.01
Relative PSA0.055669
PolarSurfaceArea20.31
Druglikeness-8.9155
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48148
Fragments1
Non HAtoms27
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms12
Symmetricatoms8
Amides1
StereoCon

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