methyl 8-(benzylcarbamoyl)cubane-1-carboxylate

methyl 8-(benzylcarbamoyl)cubane-1-carboxylate

Formula: C18H17NO3

SMILES: COC(=O)C12C3C4C1C1C2C3C41C(=O)NCC1=CC=CC=C1

IUPAC: methyl 8-(benzylcarbamoyl)cubane-1-carboxylate

InChI: InChI=1S/C18H17NO3/c1-22-16(21)18-12-9-13(18)11-14(18)10(12)17(9,11)15(20)19-7-8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3,(H,19,20)

Composition: C (73.20%), H (5.80%), N (4.74%), O (16.25%)

Molar Mass: 295.338

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	295.120843411
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DOTAPOKNPDZXTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.67
Topological Polar Surface Area	55.4
Polarizability	30.77
Ring Count	6
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H17NO3		Quote Only