N,2,2-trimethyl-N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide

N,2,2-trimethyl-N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide

CAS: 1073354-77-4

Formula: C18H29BN2O3

SMILES: CN(C(=O)C(C)(C)C)C1=NC=C(C=C1C)B1OC(C)(C)C(C)(C)O1

IUPAC: N,2,2-trimethyl-N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide

InChI: InChI=1S/C18H29BN2O3/c1-12-10-13(19-23-17(5,6)18(7,8)24-19)11-20-14(12)21(9)15(22)16(2,3)4/h10-11H,1-9H3

Composition: C (65.07%), H (8.80%), B (3.25%), N (8.43%), O (14.45%)

Molar Mass: 332.25

Atom Count: 53

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	332.227123
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UDQCKKFSDYYIAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.59
Topological Polar Surface Area	51.66
Polarizability	37.12
Ring Count	2
Rotatable Bond Count	3

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