bis[2-(cyclohexylamino)-2-oxoethyl] (E)-but-2-enedioate

Formula:C20H30N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis[2-(cyclohexylamino)-2-oxoethyl] (E)-but-2-enedioate is a drug-like molecule.

MolName	bis[2-(cyclohexylamino)-2-oxoethyl] (E)-but-2-enedioate
MolecularFormula	C20H30N2O6
Smiles	O=C(COC(/C=C/C(OCC(NC1CCCCC1)=O)=O)=O)NC1CCCCC1
InChI	InChI=1S/C20H30N2O6/c23-17(21-15-7-3-1-4-8-15)13-27-19(25)11-12-20(26)28-14-18(24)22-16-9-5-2-6-10-16/h11-12,15-16H,1-10,13-14H2,(H,21,23)(H,22,24)
InChIK	PBUIYXCEVJBBHQ-UHFFFAOYSA-N
TotalMolweight	394.466
Molweight	394.466
MonoisotopicMass	394.210388
CLogP	1.2158
CLogS	-3.184
H Acceptors	8
H Donors	2
TotalSurfaceArea	317.04
Relative PSA	0.2999
PolarSurfaceArea	110.8
Druglikeness	-7.3459
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Sp3Atoms	16
Symmetricatoms	16
Amides	2
StereoCon

Click to Load Molecule:

1 - bis[2-(cyclohexylamino)-2-oxoethyl] (E)-but-2-enedioate | 2 - bis[2-(cyclohexylamino)-2-oxoethyl] (E)-but-2-enedioate

Request More Details | bis[2-(cyclohexylamino)-2-oxoethyl] (E)-but-2-enedioate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments