2-bromo-N,N-diethyl-2-methylpropanamide

C8H16BrNO — CID 82286827

IUPAC2-bromo-N,N-diethyl-2-methylpropanamide
SMILESCCN(CC)C(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNO/c1-5-10(6-2)7(11)8(3,4)9/h5-6H2,1-4H3
InChIKeyRNCSKZKHNRKWAO-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.03
Rot. Bonds3

About 2-bromo-N,N-diethyl-2-methylpropanamide

2-bromo-N,N-diethyl-2-methylpropanamide (PubChem CID 82286827) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-bromo-N,N-diethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N,N-diethyl-2-methylpropanamide
PubChem CID82286827
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name2-bromo-N,N-diethyl-2-methylpropanamide
SMILESCCN(CC)C(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNO/c1-5-10(6-2)7(11)8(3,4)9/h5-6H2,1-4H3
InChIKeyRNCSKZKHNRKWAO-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.03
H-Bond Donors ≤ 50
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,N-diethyl-2-methylpropanamide?
The IUPAC name of 2-bromo-N,N-diethyl-2-methylpropanamide (CID 82286827) is 2-bromo-N,N-diethyl-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N,N-diethyl-2-methylpropanamide?
The canonical SMILES for 2-bromo-N,N-diethyl-2-methylpropanamide is CCN(CC)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,N-diethyl-2-methylpropanamide?
The InChIKey is RNCSKZKHNRKWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-5-10(6-2)7(11)8(3,4)9/h5-6H2,1-4H3.
What are the key properties of 2-bromo-N,N-diethyl-2-methylpropanamide?
2-bromo-N,N-diethyl-2-methylpropanamide has a molecular weight of 222.13 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diethyl-2-methylpropanamide is sourced from PubChem (CID 82286827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).