N-[3-(2-methoxyethoxy)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-[3-(2-methoxyethoxy)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

CAS: 2490665-99-9

Formula: C19H30BNO5

SMILES: COCCOCCCNC(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: N-[3-(2-methoxyethoxy)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

InChI: InChI=1S/C19H30BNO5/c1-18(2)19(3,4)26-20(25-18)16-9-7-15(8-10-16)17(22)21-11-6-12-24-14-13-23-5/h7-10H,6,11-14H2,1-5H3,(H,21,22)

Composition: C (62.82%), H (8.32%), B (2.98%), N (3.86%), O (22.02%)

Molar Mass: 363.26

Atom Count: 56

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	363.221703
Formal Charge	0
FSP3	0.63
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HFEIKKCFPHWDFJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.64
Topological Polar Surface Area	66.02
Polarizability	39.27
Ring Count	2
Rotatable Bond Count	9

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