2-bromo-N-butan-2-yl-N-butylpropanamide

C11H22BrNO — CID 107904356

IUPAC2-bromo-N-butan-2-yl-N-butylpropanamide
SMILESCCCCN(C(=O)C(C)Br)C(C)CC
InChIInChI=1S/C11H22BrNO/c1-5-7-8-13(9(3)6-2)11(14)10(4)12/h9-10H,5-8H2,1-4H3
InChIKeyYYKVRYBRNYTKRK-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.20
Rot. Bonds6

About 2-bromo-N-butan-2-yl-N-butylpropanamide

2-bromo-N-butan-2-yl-N-butylpropanamide (PubChem CID 107904356) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-bromo-N-butan-2-yl-N-butylpropanamide.

Molecular Properties

Compound Name2-bromo-N-butan-2-yl-N-butylpropanamide
PubChem CID107904356
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-bromo-N-butan-2-yl-N-butylpropanamide
SMILESCCCCN(C(=O)C(C)Br)C(C)CC
InChIInChI=1S/C11H22BrNO/c1-5-7-8-13(9(3)6-2)11(14)10(4)12/h9-10H,5-8H2,1-4H3
InChIKeyYYKVRYBRNYTKRK-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-N,N-dibutylacetamide
CID 3016161
2-Bromo-N,N-diisopropylacetamide
CID 10900191
Propanamide, N,N-dibutyl-2-bromo-
CID 533067
2,3-Dibromopropionic acid butylmethylamide
CID 153408973
Propanamide, N,N-dihexyl-2-bromo-
CID 533069
2-Bromo-n,n-diethylpropanamide
CID 219646
Bromobutanoic acid diiso propylamide
CID 13036616
Bromopentanoic acid diisopropylamide
CID 129801616
2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 139226401
2,2-dibromo-N,N-diisopropylpropanamide
CID 145721522
2,2-dibromon,N-diisopropylpropanamide
CID 145722132
2-bromo-N,N-dibutyl-3,3,3-trifluoropropanamide
CID 12015708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-yl-N-butylpropanamide?
The IUPAC name of 2-bromo-N-butan-2-yl-N-butylpropanamide (CID 107904356) is 2-bromo-N-butan-2-yl-N-butylpropanamide.
What is the SMILES notation for 2-bromo-N-butan-2-yl-N-butylpropanamide?
The canonical SMILES for 2-bromo-N-butan-2-yl-N-butylpropanamide is CCCCN(C(=O)C(C)Br)C(C)CC.
What is the InChIKey of 2-bromo-N-butan-2-yl-N-butylpropanamide?
The InChIKey is YYKVRYBRNYTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-5-7-8-13(9(3)6-2)11(14)10(4)12/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-bromo-N-butan-2-yl-N-butylpropanamide?
2-bromo-N-butan-2-yl-N-butylpropanamide has a molecular weight of 264.21 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-yl-N-butylpropanamide is sourced from PubChem (CID 107904356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).