(2E)-2-cyano-3-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide

(2E)-2-cyano-3-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula: C28H28N2O4

SMILES: CCOC1=CC(C=C(/C#N)C(=O)NCC2CCCO2)=CC=C1OCC1=CC=CC2=CC=CC=C12

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

InChI: InChI=1/C28H28N2O4/c1-2-32-27-16-20(15-23(17-29)28(31)30-18-24-10-6-14-33-24)12-13-26(27)34-19-22-9-5-8-21-7-3-4-11-25(21)22/h3-5,7-9,11-13,15-16,24H,2,6,10,14,18-19H2,1H3,(H,30,31)/b23-15+

Composition: C (73.66%), H (6.18%), N (6.14%), O (14.02%)

Molar Mass: 456.542

Atom Count: 62

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	456.20490739
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IZCNKPFRXBAOFV-HZHRSRAPNA-N
Lipinski's Rule of Five	1
Molar Refractivity	131.82
Topological Polar Surface Area	80.58
Polarizability	51.65
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00