2-bromo-N,N-dibutyl-2-methylpropanamide

C12H24BrNO — CID 82108738

IUPAC2-bromo-N,N-dibutyl-2-methylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)(C)Br
InChIInChI=1S/C12H24BrNO/c1-5-7-9-14(10-8-6-2)11(15)12(3,4)13/h5-10H2,1-4H3
InChIKeyBPBNWJNEFJTLED-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.59
Rot. Bonds7

About 2-bromo-N,N-dibutyl-2-methylpropanamide

2-bromo-N,N-dibutyl-2-methylpropanamide (PubChem CID 82108738) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-bromo-N,N-dibutyl-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N,N-dibutyl-2-methylpropanamide
PubChem CID82108738
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name2-bromo-N,N-dibutyl-2-methylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)(C)Br
InChIInChI=1S/C12H24BrNO/c1-5-7-9-14(10-8-6-2)11(15)12(3,4)13/h5-10H2,1-4H3
InChIKeyBPBNWJNEFJTLED-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.59
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-dibutyl-2-methylpropanamide?
The IUPAC name of 2-bromo-N,N-dibutyl-2-methylpropanamide (CID 82108738) is 2-bromo-N,N-dibutyl-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N,N-dibutyl-2-methylpropanamide?
The canonical SMILES for 2-bromo-N,N-dibutyl-2-methylpropanamide is CCCCN(CCCC)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,N-dibutyl-2-methylpropanamide?
The InChIKey is BPBNWJNEFJTLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-5-7-9-14(10-8-6-2)11(15)12(3,4)13/h5-10H2,1-4H3.
What are the key properties of 2-bromo-N,N-dibutyl-2-methylpropanamide?
2-bromo-N,N-dibutyl-2-methylpropanamide has a molecular weight of 278.23 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dibutyl-2-methylpropanamide is sourced from PubChem (CID 82108738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).