2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-N-(4-nitrophenyl)propanamide

2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-N-(4-nitrophenyl)propanamide

Formula: C20H19N3O5

SMILES: CC(N1C(=O)C2C(C3C=CC2C2CC32)C1=O)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-N-(4-nitrophenyl)propanamide

InChI: InChI=1/C20H19N3O5/c1-9(18(24)21-10-2-4-11(5-3-10)23(27)28)22-19(25)16-12-6-7-13(15-8-14(12)15)17(16)20(22)26/h2-7,9,12-17H,8H2,1H3,(H,21,24)

Composition: C (62.99%), H (5.02%), N (11.02%), O (20.97%)

Molar Mass: 381.388

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	7
Exact Mass	381.132470724
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VAEDPFZZMBPTFT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.01
Topological Polar Surface Area	109.62
Polarizability	37.38
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00