N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide

C13H24BrNO — CID 114314529

IUPACN-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
SMILESCCC(C)(CBr)NC(=O)CC1CCCCC1
InChIInChI=1S/C13H24BrNO/c1-3-13(2,10-14)15-12(16)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyAQHKTEUASUAOSW-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.64
Rot. Bonds5

About N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide

N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide (PubChem CID 114314529) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
PubChem CID114314529
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
SMILESCCC(C)(CBr)NC(=O)CC1CCCCC1
InChIInChI=1S/C13H24BrNO/c1-3-13(2,10-14)15-12(16)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyAQHKTEUASUAOSW-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558267

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide (CID 114314529) is N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide is CCC(C)(CBr)NC(=O)CC1CCCCC1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide?
The InChIKey is AQHKTEUASUAOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-3-13(2,10-14)15-12(16)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide?
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide has a molecular weight of 290.24 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 114314529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).