(2E)-2-cyano-N-cyclohexyl-3-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

(2E)-2-cyano-N-cyclohexyl-3-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Formula: C28H28N2O3

SMILES: COC1=CC(C=C(/C#N)C(=O)NC2CCCCC2)=CC=C1OCC1=CC=CC2=CC=CC=C12

IUPAC: (2E)-2-cyano-N-cyclohexyl-3-{3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enamide

InChI: InChI=1S/C28H28N2O3/c1-32-27-17-20(16-23(18-29)28(31)30-24-11-3-2-4-12-24)14-15-26(27)33-19-22-10-7-9-21-8-5-6-13-25(21)22/h5-10,13-17,24H,2-4,11-12,19H2,1H3,(H,30,31)/b23-16+

Composition: C (76.34%), H (6.41%), N (6.36%), O (10.89%)

Molar Mass: 440.543

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	440.20999277
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XMTFWFTXFGTODP-XQNSMLJCSA-N
Lipinski's Rule of Five
Molar Refractivity	129.84
Topological Polar Surface Area	71.35
Polarizability	50.98
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00