N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

C15H22BNO3 — CID 53217187

IUPACN-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
SMILESCNC(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(18)17-5/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyLWIZOGWOSMFUEW-UHFFFAOYSA-N
MW275.16 g/mol
LogP1.27
Rot. Bonds3

About N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (PubChem CID 53217187) has the molecular formula C15H22BNO3 and a molecular weight of 275.16 g/mol. Its IUPAC name is N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
PubChem CID53217187
Molecular FormulaC15H22BNO3
Molecular Weight275.16 g/mol
Exact Mass275.17
IUPAC NameN-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
SMILESCNC(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(18)17-5/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyLWIZOGWOSMFUEW-UHFFFAOYSA-N
XLogP1.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
The IUPAC name of N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (CID 53217187) is N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide is CNC(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
The InChIKey is LWIZOGWOSMFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(18)17-5/h6-9H,10H2,1-5H3,(H,17,18).
What are the key properties of N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide has a molecular weight of 275.16 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 53217187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).