(2E)-N-benzyl-2-cyano-3-{2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}prop-2-enamide

(2E)-N-benzyl-2-cyano-3-{2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}prop-2-enamide

Formula: C27H26N2O3

SMILES: CC1=CC=C(OCCOC2=CC=CC=C2C=C(/C#N)C(=O)NCC2=CC=CC=C2)C=C1C

IUPAC: (2E)-N-benzyl-2-cyano-3-{2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}prop-2-enamide

InChI: InChI=1S/C27H26N2O3/c1-20-12-13-25(16-21(20)2)31-14-15-32-26-11-7-6-10-23(26)17-24(18-28)27(30)29-19-22-8-4-3-5-9-22/h3-13,16-17H,14-15,19H2,1-2H3,(H,29,30)/b24-17+

Composition: C (76.03%), H (6.14%), N (6.57%), O (11.25%)

Molar Mass: 426.516

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	426.194342705
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PKTLZLWWFZUFFU-JJIBRWJFSA-N
Lipinski's Rule of Five
Molar Refractivity	126.54
Topological Polar Surface Area	71.35
Polarizability	48.1
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H26N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00