(E)-3-(4-tert-butylphenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide

Formula:C20H31NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-tert-butylphenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-tert-butylphenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
MolecularFormula	C20H31NO
Smiles	CC(C)C(C(C)C)NC(/C=C/c1ccc(C(C)(C)C)cc1)=O
InChI	InChI=1S/C20H31NO/c1-14(2)19(15(3)4)21-18(22)13-10-16-8-11-17(12-9-16)20(5,6)7/h8-15,19H,1-7H3,(H,21,22)/b13-10+
InChIK	YVNPAJNLCVPLBH-JLHYYAGUSA-N
TotalMolweight	301.472
Molweight	301.472
MonoisotopicMass	301.240564
CLogP	5.1205
CLogS	-4.689
H Acceptors	2
H Donors	1
TotalSurfaceArea	262.7
Relative PSA	0.093262
PolarSurfaceArea	29.1
Druglikeness	-2.6985
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	8
Amides	1
StereoCon

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