C21H23NO4 | Cheminformatics

propyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate

Formula:C21H23NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:none propyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate is a drug-like molecule.

MolNamepropyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate
MolecularFormulaC21H23NO4
SmilesCCCOC(c(cc1)ccc1NC(COc1c(CC=C)cccc1)=O)=O
InChIInChI=1S/C21H23NO4/c1-3-7-16-8-5-6-9-19(16)26-15-20(23)22-18-12-10-17(11-13-18)21(24)25-14-4-2/h3,5-6,8-13H,1,4,7,14-15H2,2H3,(H,22,23)
InChIKUMVYXBXSPSZHMO-UHFFFAOYSA-N
TotalMolweight353.417
Molweight353.417
MonoisotopicMass353.162709
CLogP4.1841
CLogS-4.331
H Acceptors5
H Donors1
TotalSurfaceArea291.82
Relative PSA0.19718
PolarSurfaceArea64.63
Druglikeness-2.0498
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond10
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms7
Symmetricatoms2
Amides1
StereoCon

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