2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide

C11H22BrNO — CID 114328721

IUPAC2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
SMILESCCC(CC)C(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C11H22BrNO/c1-6-9(7-2)8(3)13-10(14)11(4,5)12/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyZCINJKNWYGWGGJ-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.10
Rot. Bonds5

About 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide

2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide (PubChem CID 114328721) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
PubChem CID114328721
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
SMILESCCC(CC)C(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C11H22BrNO/c1-6-9(7-2)8(3)13-10(14)11(4,5)12/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyZCINJKNWYGWGGJ-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 114329161
2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
CID 63843687
2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide
CID 63842809
2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide
CID 63839034
2-(3-ethylpentan-2-ylamino)-2-oxoacetic acid
CID 63836816
2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 131071518
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655
N-(3-ethylpentan-2-yl)-3-oxobutanamide
CID 63836375
2-[(3-ethylpentan-2-ylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474413
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide (CID 114328721) is 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide is CCC(CC)C(C)NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide?
The InChIKey is ZCINJKNWYGWGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-6-9(7-2)8(3)13-10(14)11(4,5)12/h8-9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide?
2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide has a molecular weight of 264.21 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 114328721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).