(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide

Formula:C21H22N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide is a drug-like molecule.

MolName	(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
MolecularFormula	C21H22N2O4
Smiles	CC(C)[C@@H](C(Nc(cc(C)cc1)c1OC)=O)N(C(c1c2cccc1)=O)C2=O
InChI	InChI=1S/C21H22N2O4/c1-12(2)18(19(24)22-16-11-13(3)9-10-17(16)27-4)23-20(25)14-7-5-6-8-15(14)21(23)26/h5-12,18H,1-4H3,(H,22,24)/t18-/m0/s1
InChIK	ZCOACRRYVZEQRX-SFHVURJKSA-N
TotalMolweight	366.416
Molweight	366.416
MonoisotopicMass	366.157958
CLogP	3.0919
CLogS	-4.069
H Acceptors	6
H Donors	1
TotalSurfaceArea	278.57
Relative PSA	0.23021
PolarSurfaceArea	75.71
Druglikeness	4.1041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	6
Amides	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide | 2 - (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide

Request More Details | (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments