2-bromo-N,N-dibutylpropanamide

C11H22BrNO — CID 533067

IUPAC2-bromo-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)Br
InChIInChI=1S/C11H22BrNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3
InChIKeyYODUIZXBBCYMFR-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.20
Rot. Bonds7

About 2-bromo-N,N-dibutylpropanamide

2-bromo-N,N-dibutylpropanamide (PubChem CID 533067) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-bromo-N,N-dibutylpropanamide.

Molecular Properties

Compound Name2-bromo-N,N-dibutylpropanamide
PubChem CID533067
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-bromo-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)Br
InChIInChI=1S/C11H22BrNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3
InChIKeyYODUIZXBBCYMFR-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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-2-methyl-1-(pyrrolidin-1-yl)propan-1-one
CID 57634300
2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide
CID 11165399
1-(2-Bromopropanoyl)pyrrolidine
CID 566673
2-Bromo-N,N-diisopropylacetamide
CID 10900191
Bromoacetamide, N,N-dihexyl-
CID 532878
2-Bromo-1-(1-piperidinyl)-1-propanone
CID 13036606
2,3-Dibromopropionic acid butylmethylamide
CID 153408973
Propanamide, N,N-dihexyl-2-bromo-
CID 533069
Propanamide, N-decyl-N-methyl-2-bromo-
CID 533070
Propanamide, N,N-diheptyl-2-bromo-
CID 533072
2-Bromo-n,n-diethylpropanamide
CID 219646

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dibutylpropanamide?
The IUPAC name of 2-bromo-N,N-dibutylpropanamide (CID 533067) is 2-bromo-N,N-dibutylpropanamide.
What is the SMILES notation for 2-bromo-N,N-dibutylpropanamide?
The canonical SMILES for 2-bromo-N,N-dibutylpropanamide is CCCCN(CCCC)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N,N-dibutylpropanamide?
The InChIKey is YODUIZXBBCYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3.
What are the key properties of 2-bromo-N,N-dibutylpropanamide?
2-bromo-N,N-dibutylpropanamide has a molecular weight of 264.21 g/mol, XLogP of 3.20, 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-dibutylpropanamide is sourced from PubChem (CID 533067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).