N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide

C11H20BrNO2 — CID 106156450

IUPACN-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
SMILESCOCC(CCBr)NC(=O)CC1CCC1
InChIInChI=1S/C11H20BrNO2/c1-15-8-10(5-6-12)13-11(14)7-9-3-2-4-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyBXLWIQYBRRHHBK-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.09
Rot. Bonds7

About N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide

N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide (PubChem CID 106156450) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
PubChem CID106156450
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
SMILESCOCC(CCBr)NC(=O)CC1CCC1
InChIInChI=1S/C11H20BrNO2/c1-15-8-10(5-6-12)13-11(14)7-9-3-2-4-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyBXLWIQYBRRHHBK-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.09
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)-2-cyclobutylacetamide
CID 106184619
N-(4-chloro-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106155742
2-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799597
2-cyclohexyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799313
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
N-(1-bromo-3-methoxypropan-2-yl)-2-(thian-4-yl)acetamide
CID 106184396
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 106156097
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
N-(4-bromo-1-methoxybutan-2-yl)pentanamide
CID 106156486
3-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799344
2-cyclobutyl-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877418

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide (CID 106156450) is N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide is COCC(CCBr)NC(=O)CC1CCC1.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide?
The InChIKey is BXLWIQYBRRHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-15-8-10(5-6-12)13-11(14)7-9-3-2-4-9/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide?
N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide has a molecular weight of 278.19 g/mol, XLogP of 2.09, 7 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)-2-cyclobutylacetamide is sourced from PubChem (CID 106156450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).