N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide

C13H26BrNO — CID 106254765

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CBr)CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-6-13(7-2,9-14)10-15-11(16)8-12(3,4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyDWESEWNJURRWOX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide

N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide (PubChem CID 106254765) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
PubChem CID106254765
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CBr)CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-6-13(7-2,9-14)10-15-11(16)8-12(3,4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyDWESEWNJURRWOX-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide 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-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
CID 106254886
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
CID 106255765
3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
N-[2-(bromomethyl)-2-ethylbutyl]adamantane-2-carboxamide
CID 106254968
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
CID 106253070
N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
CID 114164697

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide (CID 106254765) is N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide is CCC(CC)(CBr)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
The InChIKey is DWESEWNJURRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-6-13(7-2,9-14)10-15-11(16)8-12(3,4)5/h6-10H2,1-5H3,(H,15,16).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide has a molecular weight of 292.26 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 106254765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).