2-bromo-N,N-diheptylacetamide

C16H32BrNO — CID 532880

IUPAC2-bromo-N,N-diheptylacetamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CBr
InChIInChI=1S/C16H32BrNO/c1-3-5-7-9-11-13-18(16(19)15-17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyKYQUVIIYMPDQEZ-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.15
Rot. Bonds13

About 2-bromo-N,N-diheptylacetamide

2-bromo-N,N-diheptylacetamide (PubChem CID 532880) has the molecular formula C16H32BrNO and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-bromo-N,N-diheptylacetamide.

Molecular Properties

Compound Name2-bromo-N,N-diheptylacetamide
PubChem CID532880
Molecular FormulaC16H32BrNO
Molecular Weight334.34 g/mol
Exact Mass333.17
IUPAC Name2-bromo-N,N-diheptylacetamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CBr
InChIInChI=1S/C16H32BrNO/c1-3-5-7-9-11-13-18(16(19)15-17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyKYQUVIIYMPDQEZ-UHFFFAOYSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.15
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

N-bromoacetyl-n-tetradecylamine
CID 194607
2-Bromo-N,N-dibutylacetamide
CID 3016161
Bromoacetamide, N,N-dioctyl-
CID 532882
N,N-Dioctylacetamide
CID 588477
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-bis(2-ethylhexyl)-2-bromo-
CID 533071
Propanamide, N,N-dioctyl-2-bromo-
CID 533074
Hexanamide, N,N-dihexyl-6-bromo-
CID 533335

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diheptylacetamide?
The IUPAC name of 2-bromo-N,N-diheptylacetamide (CID 532880) is 2-bromo-N,N-diheptylacetamide.
What is the SMILES notation for 2-bromo-N,N-diheptylacetamide?
The canonical SMILES for 2-bromo-N,N-diheptylacetamide is CCCCCCCN(CCCCCCC)C(=O)CBr.
What is the InChIKey of 2-bromo-N,N-diheptylacetamide?
The InChIKey is KYQUVIIYMPDQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrNO/c1-3-5-7-9-11-13-18(16(19)15-17)14-12-10-8-6-4-2/h3-15H2,1-2H3.
What are the key properties of 2-bromo-N,N-diheptylacetamide?
2-bromo-N,N-diheptylacetamide has a molecular weight of 334.34 g/mol, XLogP of 5.15, 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-diheptylacetamide is sourced from PubChem (CID 532880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).