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

C14H26BrNO — CID 114459098

IUPACN-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
SMILESCCC(C)(CBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H26BrNO/c1-3-14(2,11-15)16-13(17)10-12-8-6-4-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyUUJWXLGAIHDETE-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.03
Rot. Bonds5

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

N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide (PubChem CID 114459098) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
PubChem CID114459098
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
SMILESCCC(C)(CBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H26BrNO/c1-3-14(2,11-15)16-13(17)10-12-8-6-4-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyUUJWXLGAIHDETE-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.03
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-cycloheptylacetamide 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-cyclohexylacetamide
CID 114314529
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-cycloheptylacetamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide (CID 114459098) is N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide is CCC(C)(CBr)NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide?
The InChIKey is UUJWXLGAIHDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-3-14(2,11-15)16-13(17)10-12-8-6-4-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide?
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide has a molecular weight of 304.27 g/mol, XLogP of 4.03, 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-cycloheptylacetamide is sourced from PubChem (CID 114459098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).