N-(2-adamantyl)-2-bromo-N-methylbutanamide

C15H24BrNO — CID 55126314

IUPACN-(2-adamantyl)-2-bromo-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24BrNO/c1-3-13(16)15(18)17(2)14-11-5-9-4-10(7-11)8-12(14)6-9/h9-14H,3-8H2,1-2H3
InChIKeyWUEAUPINGCLUHO-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.44
Rot. Bonds3

About N-(2-adamantyl)-2-bromo-N-methylbutanamide

N-(2-adamantyl)-2-bromo-N-methylbutanamide (PubChem CID 55126314) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(2-adamantyl)-2-bromo-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-bromo-N-methylbutanamide
PubChem CID55126314
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-(2-adamantyl)-2-bromo-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24BrNO/c1-3-13(16)15(18)17(2)14-11-5-9-4-10(7-11)8-12(14)6-9/h9-14H,3-8H2,1-2H3
InChIKeyWUEAUPINGCLUHO-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-adamantyl)-2-bromo-N-methylbutanamide 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-(2-adamantyl)-N,2-dimethylpropanamide
CID 60751626
N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide
CID 62670869
N-(2-adamantyl)-2-amino-N-methylhexanamide
CID 60946117
N-(2-adamantyl)-2-methoxy-N-methylpropanamide
CID 113225639
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylbutanamide
CID 63681740
N-(2-adamantyl)-2-bromobutanamide
CID 62856671
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
N-(2-adamantyl)-2-amino-N,2-dimethylpropanamide
CID 61266019
4-[2-adamantyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302518
N-(2-adamantyl)-N-methylcyclohexanecarboxamide
CID 78858578
N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide
CID 65269663
N-(2-adamantyl)-2-(2-aminoethoxy)-N-methylacetamide
CID 79473762

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-bromo-N-methylbutanamide?
The IUPAC name of N-(2-adamantyl)-2-bromo-N-methylbutanamide (CID 55126314) is N-(2-adamantyl)-2-bromo-N-methylbutanamide.
What is the SMILES notation for N-(2-adamantyl)-2-bromo-N-methylbutanamide?
The canonical SMILES for N-(2-adamantyl)-2-bromo-N-methylbutanamide is CCC(Br)C(=O)N(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-bromo-N-methylbutanamide?
The InChIKey is WUEAUPINGCLUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-13(16)15(18)17(2)14-11-5-9-4-10(7-11)8-12(14)6-9/h9-14H,3-8H2,1-2H3.
What are the key properties of N-(2-adamantyl)-2-bromo-N-methylbutanamide?
N-(2-adamantyl)-2-bromo-N-methylbutanamide has a molecular weight of 314.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-bromo-N-methylbutanamide is sourced from PubChem (CID 55126314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).