3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-N-(2-methoxy-5-nitrophenyl)propanamide

3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-N-(2-methoxy-5-nitrophenyl)propanamide

Formula: C21H27N3O6

SMILES: COC1=CC=C(C=C1NC(=O)CCN(C)CCC1=CC=C(OC)C(OC)=C1)[N+]([O-])=O

IUPAC: 3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-N-(2-methoxy-5-nitrophenyl)propanamide

InChI: InChI=1S/C21H27N3O6/c1-23(11-9-15-5-7-19(29-3)20(13-15)30-4)12-10-21(25)22-17-14-16(24(26)27)6-8-18(17)28-2/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 417.462

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	417.189985601
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	WJCUWSOHNWUVDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.13
Topological Polar Surface Area	103.17
Polarizability	43.07
Ring Count	2
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00