2-bromo-N,N-diheptylpropanamide

C17H34BrNO — CID 533072

IUPAC2-bromo-N,N-diheptylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)C(C)Br
InChIInChI=1S/C17H34BrNO/c1-4-6-8-10-12-14-19(17(20)16(3)18)15-13-11-9-7-5-2/h16H,4-15H2,1-3H3
InChIKeyRRKJZCUZIGJJIJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.54
Rot. Bonds13

About 2-bromo-N,N-diheptylpropanamide

2-bromo-N,N-diheptylpropanamide (PubChem CID 533072) has the molecular formula C17H34BrNO and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-bromo-N,N-diheptylpropanamide.

Molecular Properties

Compound Name2-bromo-N,N-diheptylpropanamide
PubChem CID533072
Molecular FormulaC17H34BrNO
Molecular Weight348.37 g/mol
Exact Mass347.18
IUPAC Name2-bromo-N,N-diheptylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)C(C)Br
InChIInChI=1S/C17H34BrNO/c1-4-6-8-10-12-14-19(17(20)16(3)18)15-13-11-9-7-5-2/h16H,4-15H2,1-3H3
InChIKeyRRKJZCUZIGJJIJ-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bromoacetamide, N,N-dioctyl-
CID 532882
Bromoacetamide, N,N-dihexyl-
CID 532878
Bromoacetamide, N,N-didecyl-
CID 532884
Pentanamide, N,N-dihexyl-5-bromo-
CID 532966
Pentanamide, N,N-dioctyl-5-bromo-
CID 532971
Pentanamide, N,N-didecyl-5-bromo-
CID 532973
Propanamide, N,N-dibutyl-2-bromo-
CID 533067
Propanamide, N,N-bis(2-ethylhexyl)-2-bromo-
CID 533071
Propanamide, N,N-dioctyl-2-bromo-
CID 533074
Hexanamide, N,N-dihexyl-6-bromo-
CID 533335
Hexanamide, N,N-dioctyl-6-bromo-
CID 533338
Hexanamide, N,N-didecyl-6-bromo-
CID 533340

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diheptylpropanamide?
The IUPAC name of 2-bromo-N,N-diheptylpropanamide (CID 533072) is 2-bromo-N,N-diheptylpropanamide.
What is the SMILES notation for 2-bromo-N,N-diheptylpropanamide?
The canonical SMILES for 2-bromo-N,N-diheptylpropanamide is CCCCCCCN(CCCCCCC)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N,N-diheptylpropanamide?
The InChIKey is RRKJZCUZIGJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO/c1-4-6-8-10-12-14-19(17(20)16(3)18)15-13-11-9-7-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 2-bromo-N,N-diheptylpropanamide?
2-bromo-N,N-diheptylpropanamide has a molecular weight of 348.37 g/mol, XLogP of 5.54, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diheptylpropanamide is sourced from PubChem (CID 533072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).