(2E)-2-cyano-3-(3-methoxy-4-{[(4-methylphenyl)carbamoyl]methoxy}phenyl)-N-(4-methylphenyl)prop-2-enamide

(2E)-2-cyano-3-(3-methoxy-4-{[(4-methylphenyl)carbamoyl]methoxy}phenyl)-N-(4-methylphenyl)prop-2-enamide

Formula: C27H25N3O4

SMILES: COC1=CC(C=C(/C#N)C(=O)NC2=CC=C(C)C=C2)=CC=C1OCC(=O)NC1=CC=C(C)C=C1

IUPAC: (2E)-2-cyano-3-(3-methoxy-4-{[(4-methylphenyl)carbamoyl]methoxy}phenyl)-N-(4-methylphenyl)prop-2-enamide

InChI: InChI=1S/C27H25N3O4/c1-18-4-9-22(10-5-18)29-26(31)17-34-24-13-8-20(15-25(24)33-3)14-21(16-28)27(32)30-23-11-6-19(2)7-12-23/h4-15H,17H2,1-3H3,(H,29,31)(H,30,32)/b21-14+

Composition: C (71.19%), H (5.53%), N (9.22%), O (14.05%)

Molar Mass: 455.514

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	455.184506297
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KCMYVEADVDVJCT-KGENOOAVSA-N
Lipinski's Rule of Five
Molar Refractivity	133.76
Topological Polar Surface Area	100.45
Polarizability	49.28
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00