tert-butyl 2-[(4-methoxyphenyl)methyl]-3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 2-[(4-methoxyphenyl)methyl]-3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

CAS: 1312814-90-6

Formula: C22H30N2O5

SMILES: COC1=CC=C(CN2CC3(CCN(CC3)C(=O)OC(C)(C)C)C(=O)CC2=O)C=C1

IUPAC: tert-butyl 2-[(4-methoxyphenyl)methyl]-3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

InChI: InChI=1S/C22H30N2O5/c1-21(2,3)29-20(27)23-11-9-22(10-12-23)15-24(19(26)13-18(22)25)14-16-5-7-17(28-4)8-6-16/h5-8H,9-15H2,1-4H3

Composition: C (65.65%), H (7.51%), N (6.96%), O (19.87%)

Molar Mass: 402.491

Atom Count: 59

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	402.215472074
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DZGSAKJAPUYYNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.67
Topological Polar Surface Area	76.15
Polarizability	42.22
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1312814-90-6		$51.35-$823.75$51.35$63.37$86.31$524.40$823.75