N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide

Formula:C18H17N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is a drug-like molecule.

MolNameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
MolecularFormulaC18H17N3O5
SmilesO=C(CNC(COc1ccccc1)=O)N/N=C\c(cc1)cc2c1OCO2
InChIInChI=1S/C18H17N3O5/c22-17(10-19-18(23)11-24-14-4-2-1-3-5-14)21-20-9-13-6-7-15-16(8-13)26-12-25-15/h1-9H,10-12H2,(H,19,23)(H,21,22)
InChIKBFCXHECYZGGDON-UHFFFAOYSA-N
TotalMolweight355.349
Molweight355.349
MonoisotopicMass355.116822
CLogP1.9716
CLogS-3.979
H Acceptors8
H Donors2
TotalSurfaceArea273.98
Relative PSA0.33035
PolarSurfaceArea98.25
Druglikeness5.15
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms2
Amides1
StereoCon

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