N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide

C13H24BrNO2 — CID 106145377

IUPACN-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
SMILESCC(C)(CCCBr)CNC(=O)C1CCOCC1
InChIInChI=1S/C13H24BrNO2/c1-13(2,6-3-7-14)10-15-12(16)11-4-8-17-9-5-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyHTVHJKGSGWZNAU-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.73
Rot. Bonds6

About N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide

N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide (PubChem CID 106145377) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
PubChem CID106145377
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
SMILESCC(C)(CCCBr)CNC(=O)C1CCOCC1
InChIInChI=1S/C13H24BrNO2/c1-13(2,6-3-7-14)10-15-12(16)11-4-8-17-9-5-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyHTVHJKGSGWZNAU-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide
CID 106145624
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106145635
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(4-bromo-2,2-dimethylbutyl)thiolane-3-carboxamide
CID 106143446
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
N-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide (CID 106145377) is N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide is CC(C)(CCCBr)CNC(=O)C1CCOCC1.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide?
The InChIKey is HTVHJKGSGWZNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-13(2,6-3-7-14)10-15-12(16)11-4-8-17-9-5-11/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide?
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide has a molecular weight of 306.24 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide is sourced from PubChem (CID 106145377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).