2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide

C11H22BrNO — CID 2778097

IUPAC2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CNC(=O)C(Br)C(C)(C)C
InChIInChI=1S/C11H22BrNO/c1-10(2,3)7-13-9(14)8(12)11(4,5)6/h8H,7H2,1-6H3,(H,13,14)
InChIKeyQBTLERYPTUZMCM-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.96
Rot. Bonds2

About 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide

2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide (PubChem CID 2778097) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide
PubChem CID2778097
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CNC(=O)C(Br)C(C)(C)C
InChIInChI=1S/C11H22BrNO/c1-10(2,3)7-13-9(14)8(12)11(4,5)6/h8H,7H2,1-6H3,(H,13,14)
InChIKeyQBTLERYPTUZMCM-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2,2-dimethylpropyl)-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

(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide
CID 94523779
2-bromo-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79563378
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide
CID 126549375
1,3-dibromo-4,4-dimethylpentan-2-one
CID 53440208
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924799
N-(2,2-dimethylpropyl)-3-hydroxybutanamide
CID 87908757
2-bromo-3,3-dimethylbutanamide
CID 3015203
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide
CID 65105432
2-[(2,2-dimethylpropylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65223478

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide (CID 2778097) is 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide is CC(C)(C)CNC(=O)C(Br)C(C)(C)C.
What is the InChIKey of 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide?
The InChIKey is QBTLERYPTUZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-10(2,3)7-13-9(14)8(12)11(4,5)6/h8H,7H2,1-6H3,(H,13,14).
What are the key properties of 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide?
2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide has a molecular weight of 264.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 2778097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).