2-bromo-N-decyl-N-methylpropanamide

C14H28BrNO — CID 533070

IUPAC2-bromo-N-decyl-N-methylpropanamide
SMILESCCCCCCCCCCN(C)C(=O)C(C)Br
InChIInChI=1S/C14H28BrNO/c1-4-5-6-7-8-9-10-11-12-16(3)14(17)13(2)15/h13H,4-12H2,1-3H3
InChIKeyFMDRHBOLGGPUBM-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.37
Rot. Bonds10

About 2-bromo-N-decyl-N-methylpropanamide

2-bromo-N-decyl-N-methylpropanamide (PubChem CID 533070) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-bromo-N-decyl-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-decyl-N-methylpropanamide
PubChem CID533070
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC Name2-bromo-N-decyl-N-methylpropanamide
SMILESCCCCCCCCCCN(C)C(=O)C(C)Br
InChIInChI=1S/C14H28BrNO/c1-4-5-6-7-8-9-10-11-12-16(3)14(17)13(2)15/h13H,4-12H2,1-3H3
InChIKeyFMDRHBOLGGPUBM-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.37
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-decyl-N-methylpropanamide?
The IUPAC name of 2-bromo-N-decyl-N-methylpropanamide (CID 533070) is 2-bromo-N-decyl-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-decyl-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-decyl-N-methylpropanamide is CCCCCCCCCCN(C)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-decyl-N-methylpropanamide?
The InChIKey is FMDRHBOLGGPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-4-5-6-7-8-9-10-11-12-16(3)14(17)13(2)15/h13H,4-12H2,1-3H3.
What are the key properties of 2-bromo-N-decyl-N-methylpropanamide?
2-bromo-N-decyl-N-methylpropanamide has a molecular weight of 306.29 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-decyl-N-methylpropanamide is sourced from PubChem (CID 533070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).