(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)formamido]prop-2-enamide

(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)formamido]prop-2-enamide

Formula: C21H22N2O4

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=C/C1=CC=C2OCOC2=C1)C(N)=O

IUPAC: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)formamido]prop-2-enamide

InChI: InChI=1S/C21H22N2O4/c1-21(2,3)15-7-5-14(6-8-15)20(25)23-16(19(22)24)10-13-4-9-17-18(11-13)27-12-26-17/h4-11H,12H2,1-3H3,(H2,22,24)(H,23,25)/b16-10-

Composition: C (68.84%), H (6.05%), N (7.65%), O (17.47%)

Molar Mass: 366.417

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	366.157957196
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RLBZJGVKFZSVFQ-YBEGLDIGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.05
Topological Polar Surface Area	90.65
Polarizability	39
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00