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

C12H24BNO3 — CID 163353914

IUPACN-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
SMILESCNC(=O)CCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H24BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(15)14-5/h6-9H2,1-5H3,(H,14,15)
InChIKeySQOIQMCBWMUVCW-UHFFFAOYSA-N
MW241.14 g/mol
LogP1.99
Rot. Bonds5

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

N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide (PubChem CID 163353914) has the molecular formula C12H24BNO3 and a molecular weight of 241.14 g/mol. Its IUPAC name is N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide.

Molecular Properties

Compound NameN-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
PubChem CID163353914
Molecular FormulaC12H24BNO3
Molecular Weight241.14 g/mol
Exact Mass241.18
IUPAC NameN-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
SMILESCNC(=O)CCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H24BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(15)14-5/h6-9H2,1-5H3,(H,14,15)
InChIKeySQOIQMCBWMUVCW-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
CID 163343032
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 90319311
N,N'-dimethylheptanediamide
CID 15166696
2-heptadecyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146165208
2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57431235
4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-one
CID 10585312
1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
CID 163343035
5-bromo-N-methylpentanamide
CID 19971018
N-methylheptacosanamide
CID 18175889
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The IUPAC name of N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide (CID 163353914) is N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide.
What is the SMILES notation for N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The canonical SMILES for N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide is CNC(=O)CCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The InChIKey is SQOIQMCBWMUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(15)14-5/h6-9H2,1-5H3,(H,14,15).
What are the key properties of N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide has a molecular weight of 241.14 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide is sourced from PubChem (CID 163353914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).