N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide

C11H22BNO3 — CID 163343032

IUPACN-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
SMILESCNC(=O)CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H22BNO3/c1-10(2)11(3,4)16-12(15-10)8-6-7-9(14)13-5/h6-8H2,1-5H3,(H,13,14)
InChIKeyFCXRQFKVTSALAY-UHFFFAOYSA-N
MW227.11 g/mol
LogP1.60
Rot. Bonds4

About N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide

N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide (PubChem CID 163343032) has the molecular formula C11H22BNO3 and a molecular weight of 227.11 g/mol. Its IUPAC name is N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
PubChem CID163343032
Molecular FormulaC11H22BNO3
Molecular Weight227.11 g/mol
Exact Mass227.17
IUPAC NameN-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
SMILESCNC(=O)CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H22BNO3/c1-10(2)11(3,4)16-12(15-10)8-6-7-9(14)13-5/h6-8H2,1-5H3,(H,13,14)
InChIKeyFCXRQFKVTSALAY-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 163353914
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 90319311
1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
CID 163343035
N,N'-dimethylheptanediamide
CID 15166696
4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-one
CID 10585312
2-heptadecyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146165208
methyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]but-2-enoate
CID 73025701
2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57431235
ethyl 2-amino-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexanoate
CID 66833580
N-methylnonadecanamide
CID 2724821
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
5-bromo-N-methylpentanamide
CID 19971018

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide?
The IUPAC name of N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide (CID 163343032) is N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide.
What is the SMILES notation for N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide?
The canonical SMILES for N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide is CNC(=O)CCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide?
The InChIKey is FCXRQFKVTSALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BNO3/c1-10(2)11(3,4)16-12(15-10)8-6-7-9(14)13-5/h6-8H2,1-5H3,(H,13,14).
What are the key properties of N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide?
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide has a molecular weight of 227.11 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide is sourced from PubChem (CID 163343032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).