2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide

C9H16BrNO — CID 114329140

IUPAC2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
SMILESCC1CC(NC(=O)C(C)(C)Br)C1
InChIInChI=1S/C9H16BrNO/c1-6-4-7(5-6)11-8(12)9(2,3)10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyHCSFJXMMLVPWMY-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.07
Rot. Bonds2

About 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide

2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide (PubChem CID 114329140) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
PubChem CID114329140
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
SMILESCC1CC(NC(=O)C(C)(C)Br)C1
InChIInChI=1S/C9H16BrNO/c1-6-4-7(5-6)11-8(12)9(2,3)10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyHCSFJXMMLVPWMY-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.07
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-cyclopentyl-3-methylbutanamide
CID 24691712
2-bromo-N-(butan-2-yl)-3-methylbutanamide
CID 24692066
N-(3-fluoro-3-methylcyclobutyl)-2-methylpropanamide
CID 117627497
2-fluoro-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 130165203
1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide
CID 130651870
2-Bromo-N-(2-ethylbutyl)propionamide
CID 219918
1-bromo-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 21350883
2-bromo-N-(3-methylbutyl)propanamide
CID 25219791
2-bromo-N-(3-methylcyclobutyl)acetamide
CID 67085205
N-cyclobutyl-2-methylbutanamide
CID 68093203
N-cyclobutyl-3-methylbutanamide
CID 68152200
2,3-Dibromo-N-(3-methylpentan-2-yl)propanamide
CID 71386021

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide (CID 114329140) is 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide is CC1CC(NC(=O)C(C)(C)Br)C1.
What is the InChIKey of 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide?
The InChIKey is HCSFJXMMLVPWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-6-4-7(5-6)11-8(12)9(2,3)10/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide?
2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide has a molecular weight of 234.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide is sourced from PubChem (CID 114329140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).