N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide

C11H22BrNO2 — CID 106155980

IUPACN-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(CCBr)NC(=O)CC(C)(C)C
InChIInChI=1S/C11H22BrNO2/c1-11(2,3)7-10(14)13-9(5-6-12)8-15-4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyCSOSTKGMCIIKKL-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.34
Rot. Bonds6

About N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide

N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide (PubChem CID 106155980) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
PubChem CID106155980
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(CCBr)NC(=O)CC(C)(C)C
InChIInChI=1S/C11H22BrNO2/c1-11(2,3)7-10(14)13-9(5-6-12)8-15-4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyCSOSTKGMCIIKKL-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.34
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-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106183678
N-(4-bromo-1-methoxybutan-2-yl)pentanamide
CID 106156486
N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106155459
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 106156097
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
CID 106156304
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
N-(4-bromo-1-methoxybutan-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106156113
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318
N-(4-bromo-1-methoxybutan-2-yl)-2-fluoro-5-methylbenzamide
CID 106156531
2-(tert-butylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850862

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide (CID 106155980) is N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide is COCC(CCBr)NC(=O)CC(C)(C)C.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is CSOSTKGMCIIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-11(2,3)7-10(14)13-9(5-6-12)8-15-4/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide?
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 280.21 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 106155980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).