2-bromo-N,N-dihexylpropanamide

C15H30BrNO — CID 533069

IUPAC2-bromo-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)Br
InChIInChI=1S/C15H30BrNO/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKeyWRVBRLZMYIGDCH-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.76
Rot. Bonds11

About 2-bromo-N,N-dihexylpropanamide

2-bromo-N,N-dihexylpropanamide (PubChem CID 533069) has the molecular formula C15H30BrNO and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-bromo-N,N-dihexylpropanamide.

Molecular Properties

Compound Name2-bromo-N,N-dihexylpropanamide
PubChem CID533069
Molecular FormulaC15H30BrNO
Molecular Weight320.31 g/mol
Exact Mass319.15
IUPAC Name2-bromo-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)Br
InChIInChI=1S/C15H30BrNO/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKeyWRVBRLZMYIGDCH-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.76
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,N-dihexylpropanamide?
The IUPAC name of 2-bromo-N,N-dihexylpropanamide (CID 533069) is 2-bromo-N,N-dihexylpropanamide.
What is the SMILES notation for 2-bromo-N,N-dihexylpropanamide?
The canonical SMILES for 2-bromo-N,N-dihexylpropanamide is CCCCCCN(CCCCCC)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N,N-dihexylpropanamide?
The InChIKey is WRVBRLZMYIGDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 2-bromo-N,N-dihexylpropanamide?
2-bromo-N,N-dihexylpropanamide has a molecular weight of 320.31 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dihexylpropanamide is sourced from PubChem (CID 533069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).