2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide

C10H20BrNO — CID 103460984

IUPAC2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide
SMILESCCC(C)(C)CNC(=O)C(C)(C)Br
InChIInChI=1S/C10H20BrNO/c1-6-9(2,3)7-12-8(13)10(4,5)11/h6-7H2,1-5H3,(H,12,13)
InChIKeyPNRDZQLHICNLFH-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.71
Rot. Bonds4

About 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide

2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide (PubChem CID 103460984) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide
PubChem CID103460984
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide
SMILESCCC(C)(C)CNC(=O)C(C)(C)Br
InChIInChI=1S/C10H20BrNO/c1-6-9(2,3)7-12-8(13)10(4,5)11/h6-7H2,1-5H3,(H,12,13)
InChIKeyPNRDZQLHICNLFH-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide (CID 103460984) is 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide is CCC(C)(C)CNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide?
The InChIKey is PNRDZQLHICNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-6-9(2,3)7-12-8(13)10(4,5)11/h6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide?
2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide has a molecular weight of 250.18 g/mol, XLogP of 2.71, 4 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-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 103460984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).