2-bromo-N-hexyl-N-(2-phenylethyl)acetamide

C16H24BrNO — CID 174542676

IUPAC2-bromo-N-hexyl-N-(2-phenylethyl)acetamide
SMILESCCCCCCN(CCc1ccccc1)C(=O)CBr
InChIInChI=1S/C16H24BrNO/c1-2-3-4-8-12-18(16(19)14-17)13-11-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3
InChIKeyGZJHKKIZGFOWLI-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.03
Rot. Bonds9

About 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide

2-bromo-N-hexyl-N-(2-phenylethyl)acetamide (PubChem CID 174542676) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-hexyl-N-(2-phenylethyl)acetamide
PubChem CID174542676
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-bromo-N-hexyl-N-(2-phenylethyl)acetamide
SMILESCCCCCCN(CCc1ccccc1)C(=O)CBr
InChIInChI=1S/C16H24BrNO/c1-2-3-4-8-12-18(16(19)14-17)13-11-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3
InChIKeyGZJHKKIZGFOWLI-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide (CID 174542676) is 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide is CCCCCCN(CCc1ccccc1)C(=O)CBr.
What is the InChIKey of 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide?
The InChIKey is GZJHKKIZGFOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-3-4-8-12-18(16(19)14-17)13-11-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3.
What are the key properties of 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide?
2-bromo-N-hexyl-N-(2-phenylethyl)acetamide has a molecular weight of 326.28 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 174542676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).