2-(2-bromo-6-ethoxy-4-{[(1-hydroxy-2-methylpropan-2-yl)amino]methyl}phenoxy)-N-cyclohexylacetamide

2-(2-bromo-6-ethoxy-4-{[(1-hydroxy-2-methylpropan-2-yl)amino]methyl}phenoxy)-N-cyclohexylacetamide

Formula: C21H33BrN2O4

SMILES: CCOC1=CC(CNC(C)(C)CO)=CC(Br)=C1OCC(=O)NC1CCCCC1

IUPAC: 2-(2-bromo-6-ethoxy-4-{[(1-hydroxy-2-methylpropan-2-yl)amino]methyl}phenoxy)-N-cyclohexylacetamide

InChI: InChI=1S/C21H33BrN2O4/c1-4-27-18-11-15(12-23-21(2,3)14-25)10-17(22)20(18)28-13-19(26)24-16-8-6-5-7-9-16/h10-11,16,23,25H,4-9,12-14H2,1-3H3,(H,24,26)

Composition: C (55.14%), H (7.27%), Br (17.47%), N (6.12%), O (13.99%)

Molar Mass: 457.409

Atom Count: 61

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	456.162371
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	VKJRSXVXCVAULN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.77
Topological Polar Surface Area	79.82
Polarizability	44.71
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H33BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00